 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer16_STD_wB97XD_augccpVDZ.in
 Output=26_junionone_conformer16_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-177883.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    177892.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer16_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:12:17 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer16_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.485066000000      1.535508000000      0.995717000000
  C                                                -1.964270000000      0.354337000000      0.169547000000
  C                                                -0.934638000000     -0.307866000000     -0.846345000000
  C                                                 0.477967000000      0.112788000000     -0.654337000000
  C                                                 1.471106000000     -0.598339000000     -0.115965000000
  C                                                 2.851804000000     -0.112191000000      0.077031000000
  O                                                 3.682669000000     -0.839361000000      0.588984000000
  C                                                -3.274545000000      0.684558000000     -0.534829000000
  C                                                -2.024735000000     -1.012418000000      0.905189000000
  C                                                -1.363686000000     -1.694239000000     -0.311922000000
  C                                                 3.216658000000      1.291528000000     -0.361451000000
  H                                                -3.015985000000     -1.360206000000      1.197288000000
  H                                                -1.377025000000     -1.026699000000      1.782146000000
  H                                                -1.206644000000     -0.112214000000     -1.887536000000
  H                                                -0.575354000000     -2.414544000000     -0.105810000000
  H                                                -2.088300000000     -2.168848000000     -0.971807000000
  H                                                -1.347999000000      2.427758000000      0.379001000000
  H                                                -0.540528000000      1.319655000000      1.496298000000
  H                                                -2.223853000000      1.776479000000      1.764262000000
  H                                                -4.046771000000      0.944947000000      0.193127000000
  H                                                -3.639778000000     -0.160746000000     -1.121415000000
  H                                                -3.149481000000      1.533679000000     -1.211412000000
  H                                                 0.689742000000      1.126725000000     -0.981414000000
  H                                                 1.317618000000     -1.613357000000      0.229455000000
  H                                                 3.040069000000      1.424253000000     -1.430781000000
  H                                                 4.267803000000      1.463502000000     -0.144304000000
  H                                                 2.611565000000      2.032515000000      0.165225000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 22:12:17 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.485066    1.535508    0.995717
      2          6           0       -1.964270    0.354337    0.169547
      3          6           0       -0.934638   -0.307866   -0.846345
      4          6           0        0.477967    0.112788   -0.654337
      5          6           0        1.471106   -0.598339   -0.115965
      6          6           0        2.851804   -0.112191    0.077031
      7          8           0        3.682669   -0.839361    0.588984
      8          6           0       -3.274545    0.684558   -0.534829
      9          6           0       -2.024735   -1.012418    0.905189
     10          6           0       -1.363686   -1.694239   -0.311922
     11          6           0        3.216658    1.291528   -0.361451
     12          1           0       -3.015985   -1.360206    1.197288
     13          1           0       -1.377025   -1.026699    1.782146
     14          1           0       -1.206644   -0.112214   -1.887536
     15          1           0       -0.575354   -2.414544   -0.105810
     16          1           0       -2.088300   -2.168848   -0.971807
     17          1           0       -1.347999    2.427758    0.379001
     18          1           0       -0.540528    1.319655    1.496298
     19          1           0       -2.223853    1.776479    1.764262
     20          1           0       -4.046771    0.944947    0.193127
     21          1           0       -3.639778   -0.160746   -1.121415
     22          1           0       -3.149481    1.533679   -1.211412
     23          1           0        0.689742    1.126725   -0.981414
     24          1           0        1.317618   -1.613357    0.229455
     25          1           0        3.040069    1.424253   -1.430781
     26          1           0        4.267803    1.463502   -0.144304
     27          1           0        2.611565    2.032515    0.165225
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.518999   0.000000
     3  C    2.663492   1.590815   0.000000
     4  C    2.932628   2.588755   1.486361   0.000000
     5  C    3.811574   3.576439   2.530896   1.334867   0.000000
     6  C    4.729412   4.839502   3.902314   2.494116   1.476453
     7  O    5.701835   5.786948   4.864379   3.566868   2.333679
     8  C    2.503782   1.523815   2.560686   3.797703   4.933809
     9  C    2.606025   1.553333   2.180040   3.156220   3.665395
    10  C    3.486534   2.188419   1.546519   2.602745   3.045561
    11  C    4.899759   5.291720   4.475091   2.995937   2.584340
    12  H    3.281692   2.258764   3.100945   4.219707   4.736989
    13  H    2.682359   2.202860   2.760687   3.267396   3.449372
    14  H    3.332515   2.241262   1.093776   2.099838   3.247326
    15  H    4.200458   3.109921   2.261762   2.792449   2.736184
    16  H    4.237605   2.772099   2.193155   3.448532   3.983508
    17  H    1.093269   2.173186   3.025885   3.124264   4.165286
    18  H    1.090562   2.172360   2.879605   2.668162   3.213217
    19  H    1.092948   2.152437   3.580759   3.989652   4.777838
    20  H    2.748681   2.164760   3.512181   4.678027   5.737964
    21  H    3.464435   2.176975   2.723066   4.153168   5.227194
    22  H    2.764362   2.168553   2.903462   3.935434   5.205317
    23  H    2.967480   2.994173   2.171383   1.086230   2.082157
    24  H    4.284571   3.827035   2.816791   2.113215   1.083114
    25  H    5.135866   5.361826   4.374940   2.981136   2.877719
    26  H    5.865180   6.337782   5.540397   4.055542   3.474695
    27  H    4.209408   4.873866   4.367632   2.984841   2.881164
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.217049   0.000000
     8  C    6.208167   7.210278   0.000000
     9  C    5.027612   5.718776   2.552529   0.000000
    10  C    4.519349   5.196936   3.059370   1.543770   0.000000
    11  C    1.515194   2.379324   6.521824   5.863851   5.467797
    12  H    6.102742   6.746353   2.692237   1.090346   2.262606
    13  H    4.650456   5.201849   3.449254   1.090315   2.197933
    14  H    4.508938   5.528768   2.596320   3.046137   2.238308
    15  H    4.132756   4.592897   4.132085   2.255833   1.087561
    16  H    5.452937   6.124352   3.120906   2.205558   1.088929
    17  H    4.917405   6.002148   2.754162   3.545371   4.179531
    18  H    3.946190   4.829075   3.464632   2.826808   3.609821
    19  H    5.672400   6.565889   2.753555   2.924996   4.134769
    20  H    6.980068   7.942588   1.092728   2.902919   3.797278
    21  H    6.601459   7.550113   1.091795   2.727789   2.861376
    22  H    6.354872   7.453256   1.092892   3.496808   3.797052
    23  H    2.707348   3.910148   4.013791   3.937460   3.552833
    24  H    2.151850   2.514318   5.191580   3.462523   2.736608
    25  H    2.160926   3.101021   6.420610   6.086572   5.510889
    26  H    2.129988   2.486618   7.592515   6.843073   6.458567
    27  H    2.159921   3.094270   6.078927   5.595931   5.469825
                   11         12         13         14         15
    11  C    0.000000
    12  H    6.950338   0.000000
    13  H    5.574146   1.771857   0.000000
    14  H    4.885185   3.787788   3.785747   0.000000
    15  H    5.308453   2.960806   2.476523   2.978892   0.000000
    16  H    6.363122   2.493887   3.065073   2.417772   1.760489
    17  H    4.761867   4.219057   3.728664   3.407144   4.927465
    18  H    4.191476   3.660458   2.507352   3.734206   4.063521
    19  H    5.861143   3.284467   2.928352   4.235269   4.876412
    20  H    7.292810   2.717460   3.679662   3.676013   4.840070
    21  H    7.049635   2.684065   3.781612   2.551360   3.937227
    22  H    6.427192   3.767523   4.319552   2.634525   4.841172
    23  H    2.607071   4.966284   4.067680   2.439735   3.861054
    24  H    3.520494   4.447572   3.164825   3.620356   2.082702
    25  H    1.091909   7.164897   5.986717   4.539155   5.437205
    26  H    1.087030   7.926334   6.463466   5.957458   6.204586
    27  H    1.092056   6.651694   5.280348   4.836570   5.477796
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.847836   0.000000
    18  H    4.544975   1.768687   0.000000
    19  H    4.803130   1.763585   1.764674   0.000000
    20  H    3.858549   3.084906   3.759309   2.546162   0.000000
    21  H    2.542035   3.768800   4.318490   3.752974   1.765282
    22  H    3.859044   2.564006   3.766183   3.125760   1.767615
    23  H    4.310268   2.774131   2.773057   4.055854   4.883354
    24  H    3.654022   4.843396   3.695965   5.136987   5.943308
    25  H    6.278630   4.851543   4.625949   6.167758   7.286296
    26  H    7.367413   5.721964   5.082550   6.773638   8.337560
    27  H    6.405702   3.984980   3.495084   5.099386   6.746630
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.766230   0.000000
    23  H    4.519062   3.867576   0.000000
    24  H    5.339542   5.651098   3.060798   0.000000
    25  H    6.872284   6.194403   2.411325   3.866561   0.000000
    26  H    8.131591   7.493981   3.690080   4.279059   1.778734
    27  H    6.748713   5.944209   2.414258   3.869213   1.760918
                   26         27
    26  H    0.000000
    27  H    1.778400   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.96D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.485066    1.535508    0.995717
      2          6           0       -1.964270    0.354337    0.169547
      3          6           0       -0.934638   -0.307866   -0.846345
      4          6           0        0.477967    0.112788   -0.654337
      5          6           0        1.471106   -0.598339   -0.115965
      6          6           0        2.851804   -0.112191    0.077031
      7          8           0        3.682669   -0.839361    0.588984
      8          6           0       -3.274545    0.684558   -0.534829
      9          6           0       -2.024735   -1.012418    0.905189
     10          6           0       -1.363686   -1.694239   -0.311922
     11          6           0        3.216658    1.291528   -0.361451
     12          1           0       -3.015985   -1.360206    1.197288
     13          1           0       -1.377025   -1.026699    1.782146
     14          1           0       -1.206644   -0.112214   -1.887536
     15          1           0       -0.575354   -2.414544   -0.105810
     16          1           0       -2.088300   -2.168848   -0.971807
     17          1           0       -1.347999    2.427758    0.379001
     18          1           0       -0.540528    1.319655    1.496298
     19          1           0       -2.223853    1.776479    1.764262
     20          1           0       -4.046771    0.944947    0.193127
     21          1           0       -3.639778   -0.160746   -1.121415
     22          1           0       -3.149481    1.533679   -1.211412
     23          1           0        0.689742    1.126725   -0.981414
     24          1           0        1.317618   -1.613357    0.229455
     25          1           0        3.040069    1.424253   -1.430781
     26          1           0        4.267803    1.463502   -0.144304
     27          1           0        2.611565    2.032515    0.165225
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.2237449           0.5495901           0.5003487
 Leave Link  202 at Thu Aug 12 22:12:17 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       614.7756254778 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0198655201 Hartrees.
 Nuclear repulsion after empirical dispersion term =      614.7557599578 Hartrees.
 Leave Link  301 at Thu Aug 12 22:12:19 2021, MaxMem=  5368709120 cpu:              10.5 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  2.83D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Thu Aug 12 22:12:19 2021, MaxMem=  5368709120 cpu:               3.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:12:20 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer16_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:12:20 2021, MaxMem=  5368709120 cpu:               4.0 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368350547 LenY=  5368174545
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.793852821680    
 DIIS: error= 2.39D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.793852821680     IErMin= 1 ErrMin= 2.39D-03
 ErrMax= 2.39D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.76D-03 BMatP= 5.76D-03
 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.39D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.344 Goal=   None    Shift=    0.000
 GapD=    0.344 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.12D-02 MaxDP=2.77D+00              OVMax= 1.38D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.84D-02    CP:  1.36D+00
 E= -465.798831781223     Delta-E=       -0.004978959543 Rises=F Damp=F
 DIIS: error= 2.60D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.798831781223     IErMin= 2 ErrMin= 2.60D-04
 ErrMax= 2.60D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-04 BMatP= 5.76D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.60D-03
 Coeff-Com: -0.459D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.457D-01 0.105D+01
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=2.83D-03 MaxDP=3.94D-01 DE=-4.98D-03 OVMax= 5.28D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.53D-04    CP:  1.41D+00  1.13D+00
 E= -465.798942194762     Delta-E=       -0.000110413540 Rises=F Damp=F
 DIIS: error= 3.84D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.798942194762     IErMin= 2 ErrMin= 2.60D-04
 ErrMax= 3.84D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-04 BMatP= 1.10D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.84D-03
 Coeff-Com: -0.401D-01 0.537D+00 0.503D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.400D-01 0.535D+00 0.505D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=1.70D-04 MaxDP=1.99D-02 DE=-1.10D-04 OVMax= 2.72D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.01D-05    CP:  1.41D+00  1.13D+00  1.06D+00
 E= -465.799018947422     Delta-E=       -0.000076752659 Rises=F Damp=F
 DIIS: error= 9.27D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.799018947422     IErMin= 4 ErrMin= 9.27D-05
 ErrMax= 9.27D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.33D-06 BMatP= 1.03D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.456D-02-0.295D-02 0.180D+00 0.828D+00
 Coeff:     -0.456D-02-0.295D-02 0.180D+00 0.828D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=1.03D-04 MaxDP=1.05D-02 DE=-7.68D-05 OVMax= 9.60D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.71D-05    CP:  1.41D+00  1.14D+00  1.13D+00  1.34D+00
 E= -465.799025340571     Delta-E=       -0.000006393150 Rises=F Damp=F
 DIIS: error= 2.48D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.799025340571     IErMin= 5 ErrMin= 2.48D-05
 ErrMax= 2.48D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.63D-07 BMatP= 6.33D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.233D-02-0.615D-01 0.197D-01 0.338D+00 0.701D+00
 Coeff:      0.233D-02-0.615D-01 0.197D-01 0.338D+00 0.701D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=2.70D-05 MaxDP=1.69D-03 DE=-6.39D-06 OVMax= 3.00D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.86D-05    CP:  1.41D+00  1.14D+00  1.15D+00  1.42D+00  1.11D+00
 E= -465.799026247739     Delta-E=       -0.000000907168 Rises=F Damp=F
 DIIS: error= 5.92D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.799026247739     IErMin= 6 ErrMin= 5.92D-06
 ErrMax= 5.92D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.83D-08 BMatP= 7.63D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.107D-02-0.158D-01-0.745D-02 0.224D-01 0.186D+00 0.814D+00
 Coeff:      0.107D-02-0.158D-01-0.745D-02 0.224D-01 0.186D+00 0.814D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=7.74D-06 MaxDP=7.75D-04 DE=-9.07D-07 OVMax= 1.48D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.45D-06    CP:  1.41D+00  1.14D+00  1.15D+00  1.47D+00  1.15D+00
                    CP:  1.06D+00
 E= -465.799026315390     Delta-E=       -0.000000067651 Rises=F Damp=F
 DIIS: error= 2.14D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.799026315390     IErMin= 7 ErrMin= 2.14D-06
 ErrMax= 2.14D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.95D-09 BMatP= 3.83D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.869D-04 0.124D-02-0.354D-02-0.291D-01-0.179D-01 0.274D+00
 Coeff-Com:  0.775D+00
 Coeff:      0.869D-04 0.124D-02-0.354D-02-0.291D-01-0.179D-01 0.274D+00
 Coeff:      0.775D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=3.09D-06 MaxDP=3.25D-04 DE=-6.77D-08 OVMax= 4.49D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.51D-06    CP:  1.41D+00  1.13D+00  1.15D+00  1.47D+00  1.17D+00
                    CP:  1.10D+00  1.08D+00
 E= -465.799026326534     Delta-E=       -0.000000011145 Rises=F Damp=F
 DIIS: error= 6.83D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.799026326534     IErMin= 8 ErrMin= 6.83D-07
 ErrMax= 6.83D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.92D-10 BMatP= 6.95D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.104D-03 0.235D-02 0.494D-04-0.125D-01-0.320D-01-0.217D-01
 Coeff-Com:  0.232D+00 0.832D+00
 Coeff:     -0.104D-03 0.235D-02 0.494D-04-0.125D-01-0.320D-01-0.217D-01
 Coeff:      0.232D+00 0.832D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=9.14D-07 MaxDP=1.03D-04 DE=-1.11D-08 OVMax= 3.12D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.83D-07    CP:  1.41D+00  1.13D+00  1.15D+00  1.47D+00  1.17D+00
                    CP:  1.11D+00  1.14D+00  1.10D+00
 E= -465.799026327933     Delta-E=       -0.000000001399 Rises=F Damp=F
 DIIS: error= 2.69D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.799026327933     IErMin= 9 ErrMin= 2.69D-07
 ErrMax= 2.69D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.34D-10 BMatP= 6.92D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.509D-04 0.864D-03 0.394D-03-0.253D-02-0.113D-01-0.352D-01
 Coeff-Com:  0.121D-01 0.354D+00 0.682D+00
 Coeff:     -0.509D-04 0.864D-03 0.394D-03-0.253D-02-0.113D-01-0.352D-01
 Coeff:      0.121D-01 0.354D+00 0.682D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=3.16D-07 MaxDP=2.09D-05 DE=-1.40D-09 OVMax= 5.33D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.54D-07    CP:  1.41D+00  1.13D+00  1.15D+00  1.47D+00  1.16D+00
                    CP:  1.11D+00  1.14D+00  1.18D+00  9.96D-01
 E= -465.799026328194     Delta-E=       -0.000000000261 Rises=F Damp=F
 DIIS: error= 7.78D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.799026328194     IErMin=10 ErrMin= 7.78D-08
 ErrMax= 7.78D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.04D-12 BMatP= 1.34D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.467D-05-0.188D-03 0.134D-03 0.151D-02 0.304D-02-0.448D-02
 Coeff-Com: -0.408D-01-0.303D-01 0.123D+00 0.948D+00
 Coeff:      0.467D-05-0.188D-03 0.134D-03 0.151D-02 0.304D-02-0.448D-02
 Coeff:     -0.408D-01-0.303D-01 0.123D+00 0.948D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=2.09D-07 MaxDP=2.02D-05 DE=-2.61D-10 OVMax= 4.01D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  7.17D-08    CP:  1.41D+00  1.13D+00  1.15D+00  1.47D+00  1.16D+00
                    CP:  1.10D+00  1.14D+00  1.19D+00  1.03D+00  1.31D+00
 E= -465.799026328108     Delta-E=        0.000000000086 Rises=F Damp=F
 DIIS: error= 3.59D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -465.799026328194     IErMin=11 ErrMin= 3.59D-08
 ErrMax= 3.59D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-12 BMatP= 8.04D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.591D-05-0.131D-03 0.492D-05 0.582D-03 0.186D-02 0.209D-02
 Coeff-Com: -0.136D-01-0.327D-01-0.461D-01 0.259D+00 0.829D+00
 Coeff:      0.591D-05-0.131D-03 0.492D-05 0.582D-03 0.186D-02 0.209D-02
 Coeff:     -0.136D-01-0.327D-01-0.461D-01 0.259D+00 0.829D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=4.40D-08 MaxDP=5.22D-06 DE= 8.64D-11 OVMax= 7.65D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.23D-08    CP:  1.41D+00  1.13D+00  1.15D+00  1.47D+00  1.16D+00
                    CP:  1.10D+00  1.14D+00  1.19D+00  1.03D+00  1.40D+00
                    CP:  1.09D+00
 E= -465.799026328182     Delta-E=       -0.000000000074 Rises=F Damp=F
 DIIS: error= 7.21D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -465.799026328194     IErMin=12 ErrMin= 7.21D-09
 ErrMax= 7.21D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-13 BMatP= 1.33D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.511D-06-0.237D-05-0.101D-04-0.706D-04 0.270D-04 0.945D-03
 Coeff-Com:  0.128D-02-0.267D-03-0.267D-01-0.481D-01 0.145D+00 0.928D+00
 Coeff:      0.511D-06-0.237D-05-0.101D-04-0.706D-04 0.270D-04 0.945D-03
 Coeff:      0.128D-02-0.267D-03-0.267D-01-0.481D-01 0.145D+00 0.928D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=1.11D-08 MaxDP=7.75D-07 DE=-7.39D-11 OVMax= 3.10D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  6.80D-09    CP:  1.41D+00  1.13D+00  1.15D+00  1.47D+00  1.16D+00
                    CP:  1.10D+00  1.13D+00  1.19D+00  1.02D+00  1.43D+00
                    CP:  1.15D+00  1.13D+00
 E= -465.799026328143     Delta-E=        0.000000000039 Rises=F Damp=F
 DIIS: error= 4.50D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=10 EnMin= -465.799026328194     IErMin=13 ErrMin= 4.50D-09
 ErrMax= 4.50D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.73D-14 BMatP= 1.09D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.551D-06 0.149D-04-0.190D-05-0.924D-04-0.204D-03 0.328D-04
 Coeff-Com:  0.189D-02 0.423D-02-0.339D-02-0.444D-01-0.624D-01 0.283D+00
 Coeff-Com:  0.821D+00
 Coeff:     -0.551D-06 0.149D-04-0.190D-05-0.924D-04-0.204D-03 0.328D-04
 Coeff:      0.189D-02 0.423D-02-0.339D-02-0.444D-01-0.624D-01 0.283D+00
 Coeff:      0.821D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=4.42D-09 MaxDP=3.89D-07 DE= 3.91D-11 OVMax= 1.45D-07

 SCF Done:  E(RwB97XD) =  -465.799026328     A.U. after   13 cycles
            NFock= 13  Conv=0.44D-08     -V/T= 2.0063
 KE= 4.628789302991D+02 PE=-2.310779066581D+03 EE= 7.673453499956D+02
 Leave Link  502 at Thu Aug 12 22:17:24 2021, MaxMem=  5368709120 cpu:            2422.7 elap:             303.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.89815841D+02

 Leave Link  801 at Thu Aug 12 22:17:24 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 5.25D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 1.57D-01 6.55D-02.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 2.57D-02 7.29D-02.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 3.61D-03 1.63D-02.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 2.92D-04 3.56D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 1.54D-05 7.42D-04.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 5.82D-07 1.24D-04.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 2.16D-08 1.92D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 6.15D-10 3.55D-06.
     11 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 1.34D-11 6.36D-07.
      9 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 3.18D-13 6.62D-08.
      2 vectors produced by pass 11 Test12= 2.49D-13 8.33D-09 XBig12= 7.91D-15 8.41D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   121 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.166288D+03
      2 -0.596894D+01  0.119786D+03
      3  0.752038D+01 -0.419939D+01  0.103815D+03
 Isotropic polarizability for W=    0.085645      129.96 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.494318D+02 -0.168799D+02  0.417448D+02
      2  -0.115569D+02  0.194056D+02 -0.141542D+02
      3  -0.378749D+02 -0.252569D+01 -0.275905D+02
      4   0.683340D+01 -0.367293D+02 -0.382876D+02
      5   0.329885D+02 -0.385710D+02 -0.782790D+02
      6  -0.156744D+02  0.142756D+01  0.232100D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.374453D+01 -0.367105D+01 -0.833839D+01
      2   0.460447D+02 -0.171481D+02 -0.306431D+02
      3  -0.117157D+01  0.209553D+02  0.144175D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.283389D+00  0.155818D+02 -0.257357D+02
      2   0.875625D+01 -0.226132D+02 -0.404041D+02
      3   0.237133D+02  0.251725D+02  0.228966D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.143619D+01 -0.755115D+01  0.212469D+01
      2  -0.755115D+01  0.342769D+01  0.518015D+00
      3   0.212469D+01  0.518015D+00 -0.977657D+00
 OR G Eigenvalues:    -7.5624    -0.4238     9.0001  Iso=    -0.3380
 Eigenvectors:
   (1)   0.780900   0.550462  -0.295275
   (2)   0.188932   0.242425   0.951596
   (3)  -0.595399   0.798888  -0.085310
 w=    0.085645 a.u., Optical Rotation Beta=     -0.3380 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =     -105.28 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 1.49D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.27D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 4.65D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 2.10D-02 4.54D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 2.14D-03 9.96D-03.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 3.12D-05 1.01D-03.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 5.54D-07 1.46D-04.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 9.04D-09 1.90D-05.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 1.08D-10 1.15D-06.
     30 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 9.33D-13 7.45D-08.
     13 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 9.52D-15 6.38D-09.
      1 vectors produced by pass  9 Test12= 4.14D-14 2.78D-09 XBig12= 1.81D-15 3.10D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   254 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 6.82D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 6.82D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 7.80D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.166288D+03 -0.596894D+01  0.752038D+01
      2  -0.596894D+01  0.119786D+03 -0.419939D+01
      3   0.752038D+01 -0.419939D+01  0.103815D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.374453D+01 -0.367105D+01 -0.833839D+01
      2   0.460447D+02 -0.171481D+02 -0.306431D+02
      3  -0.117157D+01  0.209553D+02  0.144175D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.494318D+02 -0.168799D+02  0.417448D+02
      2  -0.115569D+02  0.194056D+02 -0.141542D+02
      3  -0.378749D+02 -0.252569D+01 -0.275905D+02
      4   0.683340D+01 -0.367293D+02 -0.382876D+02
      5   0.329885D+02 -0.385710D+02 -0.782790D+02
      6  -0.156744D+02  0.142756D+01  0.232100D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.135025D+01 -0.290077D+00 -0.468158D+01  0.917571D+00  0.647847D+00
      2  -0.290077D+00  0.699308D+00  0.258475D+01  0.647847D+00 -0.298024D+01
      3  -0.468158D+01  0.258475D+01  0.163228D+01  0.245456D+01  0.333484D+01
                 6             7             8             9            10 
      1   0.245456D+01 -0.580967D+01  0.283012D+01  0.183610D+01 -0.159150D+02
      2   0.333484D+01  0.283012D+01  0.361539D+01 -0.178207D+01  0.242877D+01
      3  -0.708391D+00  0.183610D+01 -0.178207D+01 -0.214133D+01  0.525990D+01
                11            12            13            14            15 
      1   0.242877D+01  0.525990D+01  0.913212D+01 -0.300736D+01 -0.278934D+01
      2  -0.218810D+01 -0.233437D+01 -0.300736D+01  0.396531D+01 -0.366113D+01
      3  -0.233437D+01 -0.112807D+01 -0.278934D+01 -0.366113D+01  0.175856D+01
                16            17            18            19            20 
      1   0.187827D+02 -0.380634D+01 -0.334121D+01  0.333974D+02 -0.433606D+01
      2  -0.380634D+01 -0.298238D+01  0.174617D+01 -0.433606D+01  0.279122D+01
      3  -0.334121D+01  0.174617D+01  0.595473D+00 -0.690454D+00  0.910921D+00
                21            22            23            24            25 
      1  -0.690454D+00 -0.118666D+02  0.370823D+01  0.159565D+01 -0.601325D+01
      2   0.910921D+00  0.370823D+01  0.168576D+01 -0.179383D+01  0.213952D+01
      3   0.213559D+01  0.159565D+01 -0.179383D+01 -0.243164D+01  0.562441D+01
                26            27            28            29            30 
      1   0.213952D+01  0.562441D+01 -0.499327D+02  0.581677D+01 -0.486763D+01
      2  -0.264705D+01 -0.259906D+01  0.581677D+01 -0.222944D+01  0.401439D-02
      3  -0.259906D+01  0.501845D+01 -0.486763D+01  0.401439D-02 -0.226856D+01
                31            32            33            34            35 
      1   0.149435D+02 -0.545716D+01  0.131782D+01 -0.156012D+02  0.208064D+00
      2  -0.545716D+01 -0.130771D+01  0.119920D+01  0.208064D+00  0.130300D+01
      3   0.131782D+01  0.119920D+01  0.118641D+01 -0.695720D+01  0.781844D+00
                36            37            38            39            40 
      1  -0.695720D+01  0.495870D+02 -0.733183D+01  0.775405D+01 -0.107269D+02
      2   0.781844D+00 -0.733183D+01  0.127606D+01 -0.444103D+00  0.426641D+01
      3  -0.533216D+01  0.775405D+01 -0.444103D+00  0.288822D+01 -0.569945D+00
                41            42            43            44            45 
      1   0.426641D+01 -0.569945D+00  0.161388D+02 -0.127533D+01  0.615354D+01
      2   0.189118D+01 -0.202009D+01 -0.127533D+01 -0.215297D+01 -0.966143D+00
      3  -0.202009D+01 -0.145655D+01  0.615354D+01 -0.966143D+00  0.310713D+01
                46            47            48            49            50 
      1  -0.349469D+02  0.696205D+01 -0.811272D+01  0.708958D+01 -0.374629D+01
      2   0.696205D+01 -0.147268D+01  0.227016D+01 -0.374629D+01 -0.219138D+01
      3  -0.811272D+01  0.227016D+01 -0.143404D+01  0.331343D+01  0.281492D+00
                51            52            53            54            55 
      1   0.331343D+01 -0.115794D+02  0.344782D+01 -0.290891D+01  0.292422D+02
      2   0.281492D+00  0.344782D+01  0.701395D+00  0.950772D+00 -0.635194D+01
      3   0.987185D+00 -0.290891D+01  0.950772D+00 -0.123680D+01  0.615894D+01
                56            57            58            59            60 
      1  -0.635194D+01  0.615894D+01 -0.197474D+02  0.679217D+01 -0.434568D+01
      2   0.277981D+01 -0.151422D+01  0.679217D+01 -0.498247D+01  0.210813D+01
      3  -0.151422D+01  0.233039D+01 -0.434568D+01  0.210813D+01 -0.200951D+01
                61            62            63            64            65 
      1   0.132070D+02 -0.228253D+01  0.671228D+01  0.218671D+01 -0.192460D+00
      2  -0.228253D+01  0.105838D+01 -0.272585D+01 -0.192460D+00  0.117880D+01
      3   0.671228D+01 -0.272585D+01  0.462222D+01 -0.448340D+01  0.267194D+01
                66            67            68            69            70 
      1  -0.448340D+01  0.234607D+00  0.229189D+01  0.252942D+01 -0.743525D+01
      2   0.267194D+01  0.229189D+01 -0.119934D+01  0.464594D+01  0.259812D+01
      3   0.778670D+00  0.252942D+01  0.464594D+01 -0.997049D+00  0.274294D+01
                71            72            73            74            75 
      1   0.259812D+01  0.274294D+01  0.593652D+01  0.222292D+01 -0.344913D+01
      2   0.425157D+01 -0.146671D+01  0.222292D+01  0.488841D+00 -0.173233D+01
      3  -0.146671D+01  0.105856D+01 -0.344913D+01 -0.173233D+01 -0.206417D+01
                76            77            78            79            80 
      1   0.320823D+01  0.149660D+00 -0.213665D+01 -0.398009D+01 -0.104335D+01
      2   0.149660D+00 -0.501473D+01  0.323537D+01 -0.104335D+01  0.308854D+01
      3  -0.213665D+01  0.323537D+01  0.891472D+00 -0.214799D+01  0.138618D+01
                81            82            83            84            85 
      1  -0.214799D+01  0.383093D+00  0.148062D+01  0.894814D+00  0.463012D+00
      2   0.138618D+01  0.148062D+01 -0.243498D+01  0.266464D+01 -0.250572D+01
      3  -0.124651D+01  0.894814D+00  0.266464D+01  0.277238D+01  0.232103D+01
                86            87            88            89            90 
      1  -0.250572D+01  0.232103D+01  0.172597D-01  0.369494D+01  0.275693D+01
      2   0.825260D-01  0.156937D+01  0.369494D+01  0.150712D+01 -0.854522D+00
      3   0.156937D+01 -0.748557D+00  0.275693D+01 -0.854522D+00 -0.160718D+01
                91            92            93            94            95 
      1  -0.821144D+01 -0.192018D+01 -0.213652D+01  0.504713D+00  0.381856D+01
      2  -0.192018D+01  0.346577D+01 -0.161366D+00  0.381856D+01  0.100233D+01
      3  -0.213652D+01 -0.161366D+00  0.158089D+01 -0.286203D+00 -0.163805D+01
                96            97            98            99           100 
      1  -0.286203D+00 -0.340121D+01 -0.507477D+00  0.456566D+00 -0.840273D+01
      2  -0.163805D+01 -0.507477D+00 -0.173603D+01 -0.196508D+01 -0.286255D+01
      3  -0.127477D+01  0.456566D+00 -0.196508D+01  0.436450D+01  0.353854D+01
               101           102           103           104           105 
      1  -0.286255D+01  0.353854D+01 -0.150659D+01 -0.186807D+01  0.973010D+00
      2  -0.242070D+01  0.133356D+01 -0.186807D+01 -0.134618D+01  0.723136D+00
      3   0.133356D+01 -0.228397D+01  0.973010D+00  0.723136D+00 -0.799295D+00
               106           107           108           109           110 
      1   0.126277D+01  0.883485D+00 -0.162559D+01  0.150238D+01 -0.397441D+00
      2   0.883485D+00  0.465928D+00 -0.987985D+00 -0.397441D+00  0.968286D+00
      3  -0.162559D+01 -0.987985D+00  0.193468D+01  0.150663D+01 -0.188430D+00
               111           112           113           114           115 
      1   0.150663D+01  0.238832D+00  0.141027D+00  0.151232D+00  0.106348D+01
      2  -0.188430D+00  0.141027D+00 -0.283235D-01  0.513227D+00 -0.363911D-01
      3   0.306715D+01  0.151232D+00  0.513227D+00 -0.251251D+00  0.129789D+01
               116           117           118           119           120 
      1  -0.363911D-01  0.129789D+01 -0.460775D+01  0.958971D+00 -0.174525D+01
      2   0.119800D+01 -0.100383D+01  0.958971D+00 -0.535280D+00  0.206527D+00
      3  -0.100383D+01  0.625501D+01 -0.174525D+01  0.206527D+00 -0.194670D+01
               121           122           123           124           125 
      1   0.488366D+01 -0.939130D+00  0.377199D+00 -0.299289D+01 -0.443038D-01
      2  -0.939130D+00  0.448521D+00 -0.114882D+01 -0.443038D-01 -0.987612D+00
      3   0.377199D+00 -0.114882D+01  0.146515D+01 -0.328515D+01  0.119962D+01
               126           127           128           129           130 
      1  -0.328515D+01  0.236283D+01 -0.188775D+01 -0.462487D+00 -0.144069D+01
      2   0.119962D+01 -0.188775D+01  0.357746D+01 -0.115468D+00  0.178700D+01
      3  -0.883475D+01 -0.462487D+00 -0.115468D+00  0.377994D+00 -0.224818D+00
               131           132           133           134           135 
      1   0.178700D+01 -0.224818D+00  0.303463D+00 -0.527592D+00 -0.480648D-01
      2  -0.553330D+01 -0.269894D+00 -0.527592D+00  0.743039D+00 -0.802089D+00
      3  -0.269894D+00 -0.716834D+00 -0.480648D-01 -0.802089D+00  0.273250D+00
               136           137           138           139           140 
      1  -0.367041D+01 -0.237409D+01 -0.166576D+01 -0.155047D+01 -0.177051D+01
      2  -0.237409D+01 -0.254071D+01 -0.167384D+01 -0.177051D+01 -0.328216D+01
      3  -0.166576D+01 -0.167384D+01 -0.219933D+01 -0.114384D+01 -0.188129D+01
               141           142           143           144           145 
      1  -0.114384D+01 -0.216401D+01 -0.184301D+01 -0.185987D+01  0.500326D+00
      2  -0.188129D+01 -0.184301D+01 -0.267903D+01 -0.203406D+01  0.973380D+00
      3  -0.146495D+01 -0.185987D+01 -0.203406D+01 -0.275489D+01  0.612361D-01
               146           147           148           149           150 
      1   0.973380D+00  0.612361D-01  0.844138D+00  0.262227D+00 -0.296655D+00
      2   0.571348D+00 -0.404718D+00  0.262227D+00  0.774638D+01 -0.157378D+01
      3  -0.404718D+00 -0.402759D-01 -0.296655D+00 -0.157378D+01  0.158804D+01
               151           152           153           154           155 
      1  -0.332569D+00 -0.319064D+00 -0.372783D-01  0.555512D+01 -0.252706D+00
      2  -0.319064D+00 -0.386496D+01  0.161868D+01 -0.252706D+00  0.142731D+01
      3  -0.372783D-01  0.161868D+01 -0.135436D+01  0.191251D+01  0.370522D+00
               156           157           158           159           160 
      1   0.191251D+01 -0.114964D+01  0.726196D+00 -0.186521D+00  0.175943D+01
      2   0.370522D+00  0.726196D+00 -0.129323D+00 -0.136693D+00  0.131798D+00
      3   0.200517D+01 -0.186521D+00 -0.136693D+00 -0.445616D+00  0.141287D+01
               161           162           163           164           165 
      1   0.131798D+00  0.141287D+01 -0.418511D+01  0.188086D+01  0.308986D+01
      2   0.263747D+00  0.461410D+00  0.188086D+01 -0.229262D+01 -0.185283D+01
      3   0.461410D+00  0.232204D+01  0.308986D+01 -0.185283D+01 -0.327304D+01
               166           167           168           169           170 
      1   0.529234D+00 -0.119376D+01 -0.909450D+00  0.279297D+01 -0.158599D+01
      2  -0.119376D+01  0.186134D+01  0.102937D+01 -0.158599D+01  0.172584D+01
      3  -0.909450D+00  0.102937D+01  0.105048D+01 -0.292883D+01  0.241667D+01
               171           172           173           174           175 
      1  -0.292883D+01 -0.738228D+01  0.194511D+01  0.234536D+01  0.190781D+01
      2   0.241667D+01  0.194511D+01 -0.133638D+01 -0.777082D+00 -0.183995D+01
      3   0.492025D+01  0.234536D+01 -0.777082D+00 -0.174183D+01 -0.688786D+00
               176           177           178           179           180 
      1  -0.183995D+01 -0.688786D+00  0.640582D+01 -0.170712D+01 -0.256680D+01
      2   0.126669D+01  0.170135D+00 -0.170712D+01  0.995999D+00  0.908946D+00
      3   0.170135D+00  0.647208D+00 -0.256680D+01  0.908946D+00  0.229878D+01
               181           182           183           184           185 
      1  -0.247727D+01 -0.132295D+01 -0.991476D+00 -0.319694D+01 -0.164884D+01
      2  -0.132295D+01 -0.106242D+01 -0.940549D+00 -0.164884D+01 -0.312854D+01
      3  -0.991476D+00 -0.940549D+00 -0.120918D+01 -0.178029D+01 -0.203787D+01
               186           187           188           189           190 
      1  -0.178029D+01 -0.155912D+01 -0.107279D+01 -0.200677D+01 -0.253267D+00
      2  -0.203787D+01 -0.107279D+01 -0.196261D+01 -0.124765D+01  0.581073D+00
      3  -0.208531D+01 -0.200677D+01 -0.124765D+01 -0.275270D+01 -0.118491D+00
               191           192           193           194           195 
      1   0.581073D+00 -0.118491D+00  0.184926D+01 -0.161259D+01  0.731919D+00
      2   0.345023D+00 -0.420487D+00 -0.161259D+01  0.522872D+01 -0.318118D+01
      3  -0.420487D+00  0.330756D+00  0.731919D+00 -0.318118D+01  0.281247D+01
               196           197           198           199           200 
      1  -0.753707D+00  0.628975D+00 -0.127280D+01 -0.494390D+00  0.130102D+01
      2   0.628975D+00 -0.321215D+01  0.265639D+01  0.130102D+01  0.813963D+00
      3  -0.127280D+01  0.265639D+01 -0.348728D+01 -0.724589D+00 -0.245989D+00
               201           202           203           204           205 
      1  -0.724589D+00  0.156361D+01  0.109558D+01 -0.709838D-01 -0.206513D+01
      2  -0.245989D+00  0.109558D+01  0.528351D+01 -0.184699D+01  0.259012D+00
      3  -0.973180D-01 -0.709838D-01 -0.184699D+01  0.140920D+01  0.777599D+00
               206           207           208           209           210 
      1   0.259012D+00  0.777599D+00  0.613102D+00 -0.968775D+00  0.492511D+00
      2  -0.159196D+01  0.101524D+01 -0.968775D+00 -0.821153D-01 -0.170638D-01
      3   0.101524D+01 -0.650024D+00  0.492511D+00 -0.170638D-01  0.163864D+00
               211           212           213           214           215 
      1  -0.198226D+01 -0.529782D+00 -0.805248D-01  0.925063D+00 -0.177849D+00
      2  -0.529782D+00 -0.608348D+01  0.151551D+01 -0.177849D+00  0.194760D+01
      3  -0.805248D-01  0.151551D+01 -0.121049D+01 -0.265340D+00 -0.989177D+00
               216           217           218           219           220 
      1  -0.265340D+00  0.127179D+01  0.235418D+00 -0.517620D+00  0.976010D+00
      2  -0.989177D+00  0.235418D+00 -0.856913D+00  0.146026D+00  0.335275D-01
      3   0.652526D+00 -0.517620D+00  0.146026D+00 -0.526749D+00  0.304696D-01
               221           222           223           224           225 
      1   0.335275D-01  0.304696D-01 -0.207289D+01 -0.950845D+00  0.826522D+00
      2   0.106785D+01 -0.864775D+00 -0.950845D+00 -0.213439D+01  0.204096D+01
      3  -0.864775D+00  0.100485D+01  0.826522D+00  0.204096D+01 -0.718421D+01
               226           227           228           229           230 
      1   0.100952D+02  0.291975D+01  0.639611D+00  0.136679D+01  0.106925D+01
      2   0.291975D+01  0.188290D+01  0.179221D+00  0.106925D+01  0.809520D+00
      3   0.639611D+00  0.179221D+00  0.121698D+01  0.147832D+00  0.328471D+00
               231           232           233           234           235 
      1   0.147832D+00  0.168233D+01  0.560052D+00  0.110149D+01 -0.804134D+00
      2   0.328471D+00  0.560052D+00  0.688733D+00  0.567556D+00  0.782100D+00
      3   0.261532D+00  0.110149D+01  0.567556D+00  0.136768D+00  0.993152D+00
               236           237           238           239           240 
      1   0.782100D+00  0.993152D+00  0.251478D+01 -0.670428D+00 -0.433890D+00
      2  -0.281376D+01 -0.519450D+00 -0.670428D+00  0.486752D+01  0.140021D+01
      3  -0.519450D+00 -0.106710D+01 -0.433890D+00  0.140021D+01  0.153768D+01
               241           242           243 
      1   0.141939D+01 -0.201909D+00 -0.447347D+00
      2  -0.201909D+00  0.239687D+01  0.167378D+01
      3  -0.447347D+00  0.167378D+01  0.102258D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.104388D+02 -0.510287D+01  0.288150D+00 -0.263589D+01 -0.126458D+02
      2   0.139446D+02 -0.300320D+01  0.520784D+01 -0.551209D+01 -0.515500D+01
      3  -0.602816D+01 -0.307635D+01 -0.551426D+01  0.450084D+01 -0.402902D+01
                 6             7             8             9            10 
      1   0.436058D+01 -0.849768D+00  0.120991D+02  0.289938D+01 -0.103999D+02
      2  -0.186663D+01  0.208002D+00 -0.117359D+01  0.170358D+01 -0.312871D+02
      3   0.103469D+02 -0.493212D+01  0.124559D+02  0.151573D+00  0.431067D+01
                11            12            13            14            15 
      1   0.340952D+01  0.185472D+01  0.302454D+01  0.576487D+01 -0.782763D+01
      2   0.844452D+01  0.592682D+01  0.184070D+02  0.717936D+01 -0.459598D+01
      3  -0.801774D+01 -0.357531D+01  0.753559D+00  0.662598D+01 -0.121984D+02
                16            17            18            19            20 
      1   0.874932D+01  0.256645D-01  0.205648D+00  0.110137D+02 -0.424546D+01
      2   0.156520D+02 -0.445458D+01 -0.428634D+01  0.343878D+02 -0.564394D+01
      3  -0.360958D+01 -0.134032D+02  0.272488D+01 -0.475550D+01 -0.123813D+01
                21            22            23            24            25 
      1  -0.246263D+01 -0.816409D+01 -0.561738D+01  0.422132D+00 -0.994874D+01
      2   0.957230D+00 -0.166094D+02  0.542749D+01  0.405683D+01 -0.188947D+02
      3   0.122542D+01  0.108116D+02 -0.776430D-01 -0.204556D+01 -0.422799D+00
                26            27            28            29            30 
      1   0.754578D+01  0.272612D+01 -0.121267D+02  0.127754D+01  0.463788D+00
      2   0.489012D+01  0.420987D+01 -0.351316D+02  0.270059D+01 -0.821020D+01
      3  -0.264537D+00 -0.235423D+01  0.587953D+01  0.358014D+01  0.286399D+01
                31            32            33            34            35 
      1   0.286068D+01  0.324721D+01 -0.225319D+01  0.255020D+01  0.222116D+01
      2   0.837502D+01 -0.340649D+01  0.184401D+01 -0.445164D+02  0.353864D+01
      3   0.185596D+02 -0.232842D+01  0.165411D+01  0.911546D+01  0.907565D+00
                36            37            38            39            40 
      1  -0.114230D+01  0.100007D+02 -0.125445D+01 -0.150425D+01 -0.837705D+01
      2  -0.121500D+02  0.414946D+02 -0.429591D+01  0.138099D+02 -0.599291D+01
      3   0.122980D+01  0.162683D+01 -0.668277D+01 -0.196878D+01  0.741074D+01
                41            42            43            44            45 
      1   0.555545D+00 -0.225754D+01 -0.317001D+01  0.142780D+01 -0.282346D+00
      2  -0.137696D+01  0.115618D+01  0.150807D+02 -0.171619D+00  0.829153D+01
      3  -0.106406D+02  0.595639D+01 -0.646867D+01  0.426820D+01 -0.130662D+01
                46            47            48            49            50 
      1  -0.848347D+01 -0.155444D+01  0.717655D+01 -0.101258D+01  0.846123D+01
      2  -0.238775D+02  0.465708D+01 -0.175185D+02  0.288408D+01 -0.994207D+00
      3  -0.905015D+01  0.847822D+01  0.253917D+01  0.189367D+02  0.703826D+01
                51            52            53            54            55 
      1   0.308915D+01  0.400476D+01  0.134700D+02 -0.456287D+01  0.439634D+01
      2   0.283865D+01 -0.285100D+02 -0.487060D+00 -0.965962D+01  0.190558D+02
      3   0.154430D+01  0.702511D+00  0.443671D+01 -0.181002D+01  0.413706D+01
                56            57            58            59            60 
      1   0.181700D+01 -0.111154D+01 -0.193915D+01 -0.303391D+01 -0.468415D+01
      2  -0.445366D+01  0.180476D+02 -0.123130D+02  0.668635D+01 -0.113277D+02
      3  -0.163237D+02  0.457551D+00 -0.722355D+01  0.157134D+02 -0.396950D+01
                61            62            63            64            65 
      1   0.203872D+01  0.390918D-01  0.269128D+01  0.359546D+01 -0.342406D+01
      2   0.172295D+02 -0.596359D+01  0.169294D+02  0.163463D+02 -0.981430D+01
      3  -0.562427D+00 -0.783824D+01  0.495474D+01  0.274008D+01  0.267818D+01
                66            67            68            69            70 
      1  -0.364153D+01 -0.499719D+01 -0.359909D+01 -0.423251D+01 -0.608423D+01
      2  -0.593747D+01 -0.899775D+01 -0.162148D+02  0.572758D+01 -0.190622D+02
      3   0.653526D+01  0.131530D+02 -0.304535D+01  0.210938D+02  0.603834D+01
                71            72            73            74            75 
      1   0.491243D+00 -0.509389D+00 -0.221115D+00 -0.324717D+01 -0.763141D+01
      2   0.817287D+01 -0.335181D+01  0.448622D+01 -0.160323D+01  0.131755D+02
      3   0.199534D+02 -0.322838D+01  0.576091D+00 -0.509510D+01 -0.355191D+00
                76            77            78            79            80 
      1   0.444412D+00 -0.303178D+01  0.593354D+01 -0.556560D+01  0.111400D+02
      2   0.280260D+01 -0.745836D+01  0.988828D+00  0.301495D+01 -0.835949D+00
      3   0.545161D+00 -0.127385D+02  0.115723D+02 -0.361029D+00  0.111757D+02
                81            82            83            84            85 
      1   0.183927D+01  0.624036D+00  0.104327D+02  0.789293D+01  0.135757D+02
      2   0.724564D+01 -0.774435D-01 -0.197031D+01 -0.805050D+00 -0.337886D+01
      3   0.835482D+01  0.219851D+01 -0.129664D+02  0.211909D+01 -0.457607D+01
                86            87            88            89            90 
      1   0.485162D+01 -0.749739D+01  0.553690D+01 -0.227101D+01 -0.463119D+01
      2  -0.350293D+01  0.229788D+01 -0.729237D+01  0.297544D+01  0.300047D+01
      3   0.621866D+01 -0.382049D+01  0.335834D+01 -0.743401D+01 -0.993147D+01
                91            92            93            94            95 
      1   0.317790D+01 -0.312041D+01 -0.498246D+01  0.121348D+00  0.304269D+01
      2  -0.100673D+02 -0.952057D+00  0.751555D+01  0.712866D-02 -0.405284D+01
      3  -0.707010D+00 -0.197350D+02 -0.287528D+01 -0.103096D+02  0.163772D+01
                96            97            98            99           100 
      1  -0.125263D+01  0.338500D+01  0.935613D+01 -0.784543D+01  0.121905D+01
      2  -0.279158D+01 -0.302931D+01 -0.768261D+01  0.156307D+02  0.161999D+01
      3   0.605330D+01 -0.157576D+01  0.797611D+01  0.975221D+01  0.409966D+01
               101           102           103           104           105 
      1  -0.268756D+01 -0.222474D+01 -0.444398D+00 -0.771708D+00 -0.186988D+01
      2  -0.544607D+00  0.434659D+01  0.125676D+01  0.138887D-01  0.121291D+01
      3  -0.558287D+01 -0.864099D+00 -0.221815D+00 -0.157841D+01 -0.221260D+00
               106           107           108           109           110 
      1  -0.902387D+00  0.510326D+00  0.148500D+01  0.113103D+01  0.259858D+01
      2  -0.144856D+01  0.116029D+01 -0.364724D+01 -0.669242D+01  0.115202D+01
      3  -0.103643D+01  0.765209D+00 -0.433681D+00 -0.343330D+01  0.137957D+01
               111           112           113           114           115 
      1   0.399334D+01  0.718355D+00  0.130826D+01 -0.913452D+00  0.196302D+01
      2  -0.841002D+01  0.549667D+00 -0.167124D+01  0.800218D-01 -0.850267D+01
      3  -0.273809D+01  0.166564D+01 -0.539948D-01  0.734966D+00 -0.266791D+01
               116           117           118           119           120 
      1   0.266342D+01  0.647854D+01 -0.106593D+01  0.119057D+01 -0.396262D+00
      2   0.202452D+01 -0.156881D+02 -0.440957D+01  0.103247D+01  0.115218D+01
      3   0.170256D+01 -0.450942D+01  0.989291D+00 -0.176866D+01  0.705638D+00
               121           122           123           124           125 
      1   0.256739D+01 -0.706431D+00  0.700059D+00  0.182251D+01  0.490878D+01
      2   0.563632D+01 -0.290648D+00 -0.926196D+00 -0.355771D+01 -0.828294D+00
      3   0.104278D+01  0.445556D-01 -0.101514D+01  0.445816D+00 -0.110970D+01
               126           127           128           129           130 
      1  -0.275616D+01  0.323168D+00 -0.259905D+01  0.227910D+01 -0.130283D+01
      2   0.441932D+01  0.522788D+00  0.866723D-01  0.406685D+00  0.644671D+00
      3   0.130709D+01 -0.124073D+02  0.909587D+01  0.108253D+01  0.112626D+02
               131           132           133           134           135 
      1   0.195661D+01 -0.379699D+01  0.423737D+00 -0.807168D+00  0.138680D+01
      2   0.390316D+00 -0.519355D+00 -0.105292D+01  0.784386D+00 -0.449978D+00
      3  -0.121390D+02  0.502038D-02 -0.158549D+01  0.276057D+01 -0.116905D+01
               136           137           138           139           140 
      1  -0.258020D+01 -0.190406D+01 -0.526467D+01 -0.162776D+01 -0.223678D+01
      2  -0.121112D+01  0.992980D+00  0.335752D+01  0.218322D+00  0.123066D+01
      3   0.495075D+01 -0.103712D+01  0.116187D+01  0.269800D+01 -0.236860D+01
               141           142           143           144           145 
      1  -0.333941D+01 -0.336466D+01 -0.927755D+00 -0.572840D+01  0.909681D+00
      2   0.199180D+01 -0.366500D+00  0.171320D+01  0.286475D+01 -0.883090D+00
      3  -0.125387D+00  0.279948D+01 -0.816596D+00  0.132623D+01  0.372546D+01
               146           147           148           149           150 
      1   0.179651D+01 -0.975378D+00  0.112494D+01  0.118543D+02 -0.807305D+01
      2  -0.413472D+00  0.589320D+00 -0.539273D+00  0.670763D+00 -0.130612D+01
      3   0.193243D+01 -0.858800D+00  0.537226D+01  0.135253D+02 -0.317863D+01
               151           152           153           154           155 
      1  -0.442040D+00 -0.600062D+01  0.601502D+01 -0.441641D+01  0.274288D+01
      2  -0.660208D+00 -0.132328D+01  0.152434D+01 -0.141839D+02  0.421210D+00
      3  -0.312685D+01 -0.776337D+01  0.281295D+01  0.126660D+02 -0.739766D+00
               156           157           158           159           160 
      1  -0.359807D+01  0.162033D+01 -0.802557D+00 -0.327230D+00 -0.302550D+01
      2  -0.377864D+01  0.272085D+01 -0.109047D+01  0.811678D+00 -0.711886D+01
      3   0.441196D+01  0.318310D-01  0.118034D+01 -0.681443D+00  0.420045D+01
               161           162           163           164           165 
      1   0.105632D+01 -0.335564D+01 -0.390477D+01 -0.201093D+00  0.490343D+01
      2  -0.521903D+00 -0.438405D+01 -0.147747D+00  0.190386D+01  0.398932D+01
      3  -0.922276D+00  0.355186D+01 -0.394688D+01 -0.304511D+01  0.166042D+01
               166           167           168           169           170 
      1   0.720156D+00  0.429015D+00 -0.253245D+01  0.386965D+01 -0.602018D+00
      2  -0.677425D+00 -0.463788D+00 -0.637836D+00 -0.191093D+01 -0.218198D+01
      3   0.105430D+01  0.158239D+01 -0.399762D+00  0.434457D+01  0.902461D+00
               171           172           173           174           175 
      1  -0.719857D+01 -0.346140D+01  0.880901D+00  0.271350D+01  0.142201D+01
      2  -0.601969D+01 -0.124904D+02  0.431694D+01  0.108117D+02  0.371104D+01
      3  -0.916137D+00 -0.119274D+00 -0.599543D+01 -0.107759D+01 -0.360019D+01
               176           177           178           179           180 
      1  -0.460730D+00 -0.159417D+01  0.308434D+01  0.238047D+00 -0.279015D+01
      2  -0.152527D+01 -0.362315D+01  0.106800D+02 -0.409823D+01 -0.115337D+02
      3   0.352941D+01 -0.147620D+00 -0.792361D+00  0.333496D+01  0.127322D+01
               181           182           183           184           185 
      1   0.182045D+01  0.191265D+01  0.113309D+01  0.195275D+01  0.544235D+01
      2   0.180888D+01  0.231834D+01  0.483818D+01  0.292421D+01  0.657132D+01
      3  -0.605855D+01 -0.581369D+01 -0.433115D+01 -0.556616D+01 -0.147754D+02
               186           187           188           189           190 
      1   0.147034D+01  0.206046D+01  0.422690D+01  0.206359D+01 -0.308663D+00
      2   0.733524D+01  0.391183D+01  0.396401D+01  0.873930D+01  0.100178D+01
      3  -0.874945D+01 -0.442084D+01 -0.921881D+01 -0.591772D+01  0.262260D+01
               191           192           193           194           195 
      1   0.101867D+00 -0.128541D+00 -0.112755D+00 -0.171911D+01 -0.272196D+01
      2   0.166277D+01 -0.142575D+00 -0.917364D-01  0.105103D+02 -0.100995D+02
      3   0.707425D+00 -0.137978D+01 -0.129336D+01  0.175114D+02 -0.108685D+02
               196           197           198           199           200 
      1   0.862349D+00  0.175217D+01  0.244429D+01  0.771684D-01 -0.136812D+01
      2   0.187876D+01 -0.905167D+01  0.114768D+02 -0.481310D+00  0.137767D+01
      3   0.251933D+00 -0.119069D+02  0.869229D+01  0.236902D+00 -0.252177D+00
               201           202           203           204           205 
      1  -0.406409D+00 -0.259045D+01 -0.589368D+01 -0.146807D+01 -0.525249D+01
      2  -0.428417D+00  0.241977D+01  0.110010D+01  0.602345D+00 -0.306077D+01
      3   0.265123D+00  0.289496D+01 -0.208583D+01 -0.115002D+00 -0.157103D+01
               206           207           208           209           210 
      1   0.255620D+01 -0.114973D+01  0.132119D+01  0.861036D-02 -0.260347D-01
      2   0.411109D-01  0.384919D+00  0.224513D+01 -0.519740D+00  0.479227D+00
      3   0.622582D+00 -0.972993D+00  0.190353D+01  0.626570D+00 -0.383513D+00
               211           212           213           214           215 
      1  -0.741479D+00  0.668378D+00 -0.365350D+01 -0.203041D+01  0.288004D+00
      2  -0.391280D+00  0.359918D+01 -0.243851D+01 -0.373979D+01 -0.229851D+01
      3   0.631908D+01  0.129487D+02 -0.336647D+01 -0.152022D+01 -0.407453D+01
               216           217           218           219           220 
      1   0.609597D+00 -0.157424D+00 -0.191720D+00  0.137593D+01 -0.105333D+01
      2   0.887752D+00 -0.124231D+01  0.695806D+00 -0.182169D+01  0.158226D+01
      3   0.209123D+01 -0.496108D+00  0.254854D+01 -0.168423D+01  0.824284D+00
               221           222           223           224           225 
      1   0.808139D+00 -0.196299D+01 -0.180449D+01 -0.185567D+01  0.123466D+02
      2  -0.281626D+01  0.321101D+01  0.342080D+00  0.689618D+01 -0.244847D+02
      3  -0.406997D+01  0.277988D+01 -0.297244D+00  0.566892D+01 -0.713630D+01
               226           227           228           229           230 
      1  -0.227750D+01 -0.714013D+00 -0.235291D+01 -0.702117D+00 -0.735917D+00
      2   0.607685D+01  0.175674D+01  0.688962D+01  0.137663D+01  0.156869D+01
      3   0.375262D+01 -0.545906D+01  0.549457D+00  0.575472D+00 -0.124524D+01
               231           232           233           234           235 
      1  -0.133382D+01 -0.112260D+01  0.897004D-02 -0.365307D+00 -0.645071D+00
      2   0.138786D+01  0.314086D+01  0.175133D+01  0.110570D+01  0.295253D+01
      3  -0.104245D+01  0.324883D+00 -0.229951D+01 -0.908365D+00 -0.642610D+01
               236           237           238           239           240 
      1   0.344515D+01  0.263231D+01  0.178802D+01 -0.503633D+01 -0.429587D+01
      2  -0.240430D+01 -0.253620D+01 -0.101267D+01  0.507087D+01  0.458974D+01
      3   0.119037D+02  0.412585D+01  0.753239D+01 -0.193643D+02 -0.603301D+01
               241           242           243 
      1   0.224722D+00 -0.366235D+01 -0.297083D+01
      2  -0.156905D+01  0.614489D+01  0.347818D+01
      3   0.336898D+01 -0.987918D+01 -0.762852D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.135736D+02 -0.199908D+01  0.752497D+01 -0.542369D+01  0.311825D+00
      2   0.594804D+01 -0.547716D+01 -0.197403D+01 -0.180235D+01 -0.168500D+02
      3  -0.195216D+02  0.747625D+01 -0.555095D+01  0.722604D+01  0.165382D+02
      4  -0.127783D+01 -0.276831D+01 -0.202224D+02 -0.266312D+01  0.114164D+02
      5   0.144896D+02 -0.117295D+02 -0.164738D+02 -0.102856D+02 -0.818890D+01
      6  -0.141070D+02  0.123003D+02  0.103936D+02  0.719686D+01  0.140055D+02
                 6             7             8             9            10 
      1  -0.172157D+02  0.622268D+01 -0.192890D+02 -0.188409D+01 -0.164720D+02
      2   0.224122D+02 -0.144052D+01  0.282642D+02  0.263414D+01  0.668712D+01
      3  -0.519649D+01 -0.478216D+01 -0.897521D+01 -0.750049D+00  0.978485D+01
      4  -0.327743D+01 -0.230231D+02 -0.625653D+00  0.125566D+02  0.361576D+01
      5   0.771441D+01 -0.183308D+02  0.128711D+02  0.125700D+02 -0.270865D+02
      6   0.139586D+01  0.118978D+02 -0.274788D+01 -0.680572D+01  0.860770D+01
                11            12            13            14            15 
      1   0.406303D+01 -0.192752D+02  0.971136D+01  0.104545D+02  0.144683D+02
      2  -0.120508D+01  0.559146D+01 -0.471792D+01  0.110663D+01 -0.732365D+01
      3  -0.285794D+01  0.136837D+02 -0.499344D+01 -0.115611D+02 -0.714466D+01
      4   0.714832D+01  0.127945D+02  0.824216D+01 -0.224234D+02  0.138210D+02
      5   0.102119D+02  0.331392D+01  0.114153D+02  0.185619D+02 -0.747504D+01
      6  -0.912036D+01 -0.274952D+01  0.687556D+00 -0.528167D-01 -0.757476D+01
                16            17            18            19            20 
      1  -0.214745D+02  0.172056D+02 -0.127871D+01  0.274092D+02  0.377454D+01
      2   0.292551D+01 -0.156753D+02 -0.436545D+01 -0.889552D+01 -0.635352D+01
      3   0.185490D+02 -0.153031D+01  0.564416D+01 -0.185136D+02  0.257898D+01
      4   0.155797D+02  0.984423D+01 -0.719231D+01 -0.283614D+00 -0.443563D+01
      5   0.133982D+02 -0.881065D+01 -0.264749D+00  0.186411D+01 -0.938488D+00
      6  -0.694098D+01 -0.130123D+01  0.167200D+01 -0.348648D+01  0.277154D+01
                21            22            23            24            25 
      1   0.513946D+01  0.413511D+01 -0.338237D+01 -0.737351D+01  0.233662D+02
      2   0.441436D+01 -0.473629D+01 -0.672482D+01 -0.400302D+00  0.585049D+01
      3  -0.955383D+01  0.601180D+00  0.101072D+02  0.777382D+01 -0.292167D+02
      4  -0.262335D+01 -0.774316D+01 -0.357043D+01  0.226751D+01 -0.100750D+02
      5  -0.421465D+01 -0.379300D+01  0.142431D+00  0.581182D+01 -0.137057D+02
      6   0.317885D+01 -0.413190D+00 -0.541569D+01  0.285580D+01  0.386303D+01
                26            27            28            29            30 
      1  -0.107133D+02  0.186443D+02 -0.104473D+03  0.937759D+01 -0.128162D+02
      2   0.612807D+01  0.897065D+01  0.412122D+02 -0.592796D+01  0.472242D+01
      3   0.458524D+01 -0.276150D+02  0.632608D+02 -0.344963D+01  0.809375D+01
      4   0.589012D+01  0.787641D+01  0.167036D+02 -0.117134D+02  0.823266D+00
      5   0.955791D+01 -0.169526D+02 -0.532371D+01 -0.110196D+01 -0.103623D+02
      6   0.404718D+00 -0.393836D+00  0.728708D+01  0.283891D+01  0.228102D+01
                31            32            33            34            35 
      1   0.403962D+02 -0.590211D+01  0.263835D+01 -0.431417D+02 -0.158719D+01
      2  -0.189766D+02  0.378826D+01  0.385177D+00  0.109476D+02  0.351594D+01
      3  -0.214197D+02  0.211385D+01 -0.302353D+01  0.321942D+02 -0.192876D+01
      4  -0.114244D+02 -0.390257D+00  0.134464D+01  0.839155D+01 -0.372279D+01
      5   0.749893D+01  0.289649D+01  0.155974D+01 -0.962850D+01 -0.110001D+01
      6   0.165148D+01  0.902060D+01 -0.125591D+01  0.656246D+00  0.391318D+01
                36            37            38            39            40 
      1  -0.304962D+02  0.151784D+03 -0.234665D+02  0.317514D+02 -0.184453D+02
      2   0.124317D+00 -0.664221D+02  0.104724D+02 -0.115504D+02  0.429172D+01
      3   0.303718D+02 -0.853623D+02  0.129941D+02 -0.202011D+02  0.141536D+02
      4   0.321190D+01 -0.438605D+02  0.139703D+02 -0.593104D+01  0.163470D+02
      5  -0.149235D+02  0.262461D+02 -0.180909D+01  0.209491D+02  0.377397D+01
      6   0.515979D+01 -0.116288D+02 -0.156720D+01 -0.410975D+01 -0.185108D+01
                41            42            43            44            45 
      1   0.110311D+02 -0.950787D+01  0.404523D+02 -0.101116D+02  0.107837D+02
      2  -0.895480D+01  0.347473D+01 -0.182562D+02  0.857108D+01 -0.807493D+01
      3  -0.207627D+01  0.603314D+01 -0.221961D+02  0.154054D+01 -0.270875D+01
      4   0.905303D+01 -0.632911D+01 -0.657916D+01 -0.764953D+01 -0.451761D+01
      5  -0.844201D+01 -0.161945D+01  0.291805D+02 -0.508487D+01  0.801244D+01
      6   0.597126D+01  0.396761D+01 -0.964379D+01  0.537001D+01 -0.171482D+00
                46            47            48            49            50 
      1  -0.132440D+03  0.357048D+02 -0.276267D+02  0.450958D+02 -0.222081D+02
      2   0.611330D+02 -0.171968D+02  0.159148D+02 -0.289420D+02  0.397398D+01
      3   0.713072D+02 -0.185080D+02  0.117120D+02 -0.161538D+02  0.182341D+02
      4   0.615688D+02 -0.312590D+02  0.176425D+02 -0.352833D+02 -0.140230D+02
      5  -0.460372D+02  0.137665D+02 -0.262693D+02  0.260113D+02  0.340401D+00
      6   0.178494D+02 -0.670612D+01  0.257742D+01  0.897467D+00  0.568953D+01
                51            52            53            54            55 
      1   0.157198D+02 -0.546768D+02  0.149300D+02 -0.182726D+02  0.149253D+03
      2  -0.128577D+02  0.270707D+02 -0.348649D+01  0.610871D+01 -0.732285D+02
      3  -0.286207D+01  0.276061D+02 -0.114435D+02  0.121639D+02 -0.760244D+02
      4   0.654188D+00  0.331390D+02 -0.133098D+01  0.801277D+01 -0.620711D+02
      5   0.302009D+01 -0.153595D+02  0.578061D+01 -0.151525D+02  0.407813D+02
      6  -0.602475D+01  0.165716D+01  0.105492D+01  0.610156D+01 -0.927597D+01
                56            57            58            59            60 
      1  -0.374603D+02  0.288271D+02 -0.842174D+02  0.278643D+02 -0.144035D+02
      2   0.139853D+02 -0.179950D+02  0.345740D+02 -0.217964D+01  0.847915D+01
      3   0.234750D+02 -0.108321D+02  0.496434D+02 -0.256847D+02  0.592433D+01
      4   0.388884D+02 -0.137178D+02  0.646046D+02 -0.446081D+02  0.166528D+02
      5  -0.117444D+02  0.310586D+02 -0.259586D+02  0.141061D+02 -0.166587D+02
      6   0.482030D+01 -0.593512D+01  0.104694D+02 -0.737182D+01  0.116855D+02
                61            62            63            64            65 
      1   0.535269D+02 -0.711188D+01  0.262274D+02 -0.905334D+01  0.482170D+00
      2  -0.313789D+02  0.492339D+01 -0.216647D+02  0.301589D+01  0.242351D+01
      3  -0.221480D+02  0.218849D+01 -0.456274D+01  0.603744D+01 -0.290568D+01
      4  -0.221964D+02  0.123125D+02 -0.212722D+02  0.161669D-01 -0.776657D+01
      5   0.514129D+02 -0.198106D+02  0.374114D+02  0.348240D+02 -0.203636D+02
      6  -0.100472D+02  0.111074D+02 -0.100028D+02 -0.107925D+02  0.284356D+01
                66            67            68            69            70 
      1   0.292890D+02 -0.416694D+01 -0.489073D+01 -0.281749D+02  0.408222D+02
      2  -0.117556D+02  0.621109D+01  0.499217D+01  0.189465D+02 -0.162259D+02
      3  -0.175334D+02 -0.204415D+01 -0.101443D+00  0.922845D+01 -0.245963D+02
      4  -0.227050D+02 -0.146461D+02  0.632246D+01 -0.264846D+02 -0.242670D+02
      5  -0.682609D+01 -0.194967D+02 -0.288832D+02  0.414559D+01 -0.187847D+02
      6  -0.345581D+00 -0.132021D+01  0.104200D+02 -0.108541D+02  0.262659D+01
                71            72            73            74            75 
      1  -0.298730D+02 -0.102957D+02 -0.169911D+02 -0.134788D+02  0.207022D+02
      2   0.209688D+02  0.462602D+01  0.102210D+02  0.723340D+01  0.307965D+01
      3   0.890421D+01  0.566968D+01  0.677007D+01  0.624541D+01 -0.237819D+02
      4  -0.242090D+02  0.833266D+01 -0.227177D+02 -0.890358D+01  0.134940D+02
      5   0.726566D+01 -0.524580D+01  0.240866D+02  0.128527D+02 -0.267148D+01
      6  -0.119581D+02  0.277213D+01  0.109723D+02  0.979635D+01  0.282182D+01
                76            77            78            79            80 
      1  -0.129451D+02 -0.921920D+01  0.130831D+02  0.123897D+02  0.775334D+01
      2   0.995153D+01  0.246964D+01 -0.144005D+02  0.417480D+01 -0.717199D+01
      3   0.299355D+01  0.674957D+01  0.131735D+01 -0.165645D+02 -0.581349D+00
      4  -0.664284D+01  0.217995D+02 -0.934762D+01  0.851974D+01 -0.490052D+01
      5   0.158628D+02 -0.160086D+02 -0.614678D+01  0.164578D+01 -0.499906D+01
      6   0.122344D+01 -0.125052D+02  0.291501D+01  0.432905D+01 -0.108271D+01
                81            82            83            84            85 
      1   0.140163D+02  0.425137D+01 -0.116672D+02  0.451748D+01 -0.812442D+01
      2  -0.370700D+01 -0.683872D+01  0.182410D+02 -0.122389D+02  0.111076D+02
      3  -0.103093D+02  0.258735D+01 -0.657385D+01  0.772146D+01 -0.298318D+01
      4  -0.600981D+00 -0.501584D+01 -0.491617D+01 -0.113475D+02  0.205179D+00
      5  -0.898351D+00 -0.584603D+01 -0.121900D+02 -0.111025D+02 -0.123705D+02
      6   0.264576D+01 -0.557251D+01 -0.136710D+02 -0.134020D+02 -0.939841D+01
                86            87            88            89            90 
      1   0.355753D+01 -0.359814D+01  0.102532D+02 -0.441874D+01 -0.128034D+02
      2  -0.729829D+00 -0.105376D+00 -0.181754D+02 -0.272181D+01  0.969672D+01
      3  -0.282770D+01  0.370352D+01  0.792216D+01  0.714055D+01  0.310668D+01
      4   0.661048D+01 -0.102346D+02 -0.115906D+02 -0.158183D+02 -0.802268D+01
      5  -0.484399D+01  0.244077D+01 -0.138059D+02 -0.220078D+01  0.369969D+01
      6  -0.187539D+01 -0.155384D+01 -0.139068D+02 -0.459151D+00  0.181787D+01
                91            92            93            94            95 
      1  -0.564579D+02 -0.284856D+02 -0.137924D+02 -0.118163D+02  0.202306D+02
      2   0.235619D+02  0.235603D+02  0.110064D+02  0.140940D+02 -0.729400D+01
      3   0.328960D+02  0.492533D+01  0.278592D+01 -0.227771D+01 -0.129366D+02
      4  -0.241246D+02  0.159609D+02 -0.555020D+01  0.217673D+02  0.158701D+02
      5  -0.123682D+02 -0.265798D+01  0.121326D+02 -0.367187D+01 -0.114428D+02
      6  -0.580803D+01  0.118757D+01  0.624847D+01 -0.150899D+01 -0.104792D+02
                96            97            98            99           100 
      1   0.307151D+01 -0.224714D+02  0.235116D+00  0.182080D+02  0.473020D+02
      2  -0.780290D+01  0.115325D+02 -0.115172D+02 -0.389896D+01 -0.249229D+02
      3   0.473139D+01  0.109389D+02  0.112821D+02 -0.143091D+02 -0.223791D+02
      4  -0.932852D+01 -0.876922D+01 -0.934859D+01 -0.962499D+01  0.337697D+02
      5  -0.550109D+01  0.456786D+01 -0.113973D+02  0.285113D+02 -0.333747D+02
      6  -0.423422D+00  0.205435D+01 -0.693872D+01  0.134646D+02 -0.131852D+02
               101           102           103           104           105 
      1   0.109931D+02 -0.141722D+02  0.857879D+01  0.542541D+01 -0.245707D+01
      2  -0.234633D+01  0.100210D+02 -0.138434D+01  0.261783D+01  0.170169D+01
      3  -0.864680D+01  0.415121D+01 -0.719445D+01 -0.804324D+01  0.755388D+00
      4   0.219615D+02 -0.140587D+02  0.175198D+02  0.124680D+02 -0.703481D+01
      5  -0.120123D+02  0.210452D+02 -0.883981D+01 -0.679639D+01  0.613540D+01
      6  -0.930303D+01  0.866623D+01 -0.740005D+01 -0.476905D+01  0.574182D+01
               106           107           108           109           110 
      1  -0.933700D+01 -0.218970D+01  0.371902D+01 -0.483158D+01  0.531269D+01
      2   0.675800D+01  0.250383D+01 -0.629440D+01 -0.162829D+01 -0.340383D+01
      3   0.257900D+01 -0.314133D+00  0.257537D+01  0.645988D+01 -0.190885D+01
      4  -0.868332D+01 -0.530749D+01  0.861652D+01 -0.230187D+00 -0.122337D+01
      5   0.160277D+02  0.708933D+01 -0.134340D+02 -0.611922D+00 -0.110955D+01
      6   0.658539D+01  0.509892D+01 -0.725310D+01 -0.430582D+01  0.339200D+01
               111           112           113           114           115 
      1  -0.148890D+02  0.164477D+01 -0.407957D+01  0.260711D+00 -0.102699D+02
      2  -0.268790D+01 -0.142731D+01  0.102346D+01 -0.113266D+01  0.112228D+01
      3   0.175769D+02 -0.217455D+00  0.305610D+01  0.871952D+00  0.914760D+01
      4  -0.268251D+01  0.179474D+01 -0.124443D+01 -0.678795D+00 -0.297761D+01
      5  -0.261785D+01 -0.154495D+01  0.659911D+00  0.502346D+00  0.249156D+01
      6  -0.768781D+01  0.164458D+01 -0.165752D+01  0.677677D+01 -0.193244D+01
               116           117           118           119           120 
      1   0.453036D+01 -0.250549D+02 -0.157099D+01  0.389005D+00 -0.163994D+01
      2  -0.109722D+01 -0.900091D+01 -0.626759D+01  0.419473D+00 -0.498400D+01
      3  -0.343314D+01  0.340558D+02  0.783858D+01 -0.808479D+00  0.662394D+01
      4  -0.370907D+01  0.150690D+01 -0.444119D+00  0.392408D+01 -0.781139D+00
      5   0.331881D+01 -0.139461D+02  0.792301D+01 -0.203938D+01  0.130781D+02
      6   0.754171D+01 -0.155646D+02 -0.640531D+00  0.897608D+00  0.515130D-01
               121           122           123           124           125 
      1   0.530389D+01 -0.511926D+01  0.379855D+01 -0.694534D+01  0.167581D+01
      2  -0.195061D+01  0.330152D+00  0.308681D+01 -0.677963D+01  0.352969D+01
      3  -0.335328D+01  0.478911D+01 -0.688536D+01  0.137250D+02 -0.520551D+01
      4   0.256613D+01 -0.103884D+01  0.318450D+01  0.721756D+00  0.292256D+01
      5  -0.252194D+01  0.383367D+01 -0.314494D+01  0.171164D+02 -0.348758D+01
      6   0.153356D+01 -0.135846D+01  0.719985D+01  0.597264D+00  0.570747D+01
               126           127           128           129           130 
      1  -0.268412D+02 -0.838828D+01  0.168629D+02  0.276649D+00  0.883312D+01
      2  -0.206719D+02  0.115787D+02 -0.240182D+02  0.845564D+00 -0.126709D+02
      3   0.475132D+02 -0.319041D+01  0.715532D+01 -0.112221D+01  0.383778D+01
      4  -0.210335D+01 -0.554830D+01  0.383375D+01  0.185576D+01  0.677599D+01
      5   0.245059D+02 -0.316275D+00  0.144766D+01  0.135620D+01  0.192754D+01
      6  -0.711254D+00  0.913060D+00  0.557899D+00 -0.244193D+01  0.902601D+00
               131           132           133           134           135 
      1  -0.245661D+02 -0.485215D+00 -0.248541D+01  0.390911D+01 -0.329302D+01
      2   0.369673D+02  0.607774D+00  0.331988D+01 -0.498371D+01  0.302234D+01
      3  -0.124012D+02 -0.122559D+00 -0.834466D+00  0.107460D+01  0.270678D+00
      4  -0.226000D+00  0.121326D+01  0.528008D+00  0.673805D+00  0.737056D+00
      5   0.318338D+00  0.589691D+00  0.284727D+01  0.114637D+01 -0.711388D+00
      6   0.874791D+00  0.614886D+01 -0.348417D+00  0.638063D+01 -0.173692D+01
               136           137           138           139           140 
      1   0.861723D+01  0.137258D+00  0.132168D+01  0.152027D+01 -0.616287D+01
      2   0.182579D+01  0.736039D+01  0.247737D+01  0.431108D+01  0.151190D+02
      3  -0.104430D+02 -0.749765D+01 -0.379906D+01 -0.583135D+01 -0.895617D+01
      4   0.209801D+02  0.201932D+02  0.117470D+02  0.152092D+02  0.181956D+02
      5   0.126783D+02  0.973144D+01  0.127921D+02  0.677985D+01  0.940802D+01
      6   0.997435D+01  0.107993D+02  0.114940D+02  0.767365D+01  0.130142D+02
               141           142           143           144           145 
      1  -0.333158D+01  0.507531D+00 -0.545551D+01 -0.342775D+01 -0.296472D+01
      2   0.670008D+01  0.269682D+01  0.896971D+01  0.151745D+01  0.395065D+01
      3  -0.336850D+01 -0.320435D+01 -0.351420D+01  0.191029D+01 -0.985933D+00
      4   0.104586D+02  0.128593D+02  0.144536D+02  0.131322D+02 -0.117574D+01
      5   0.728984D+01  0.118916D+02  0.103364D+02  0.139135D+02  0.912691D-01
      6   0.104380D+02  0.108674D+02  0.142728D+02  0.158485D+02 -0.496407D-01
               146           147           148           149           150 
      1  -0.516820D+01  0.760643D+00 -0.359467D+01 -0.239068D+02  0.382401D+01
      2   0.640711D+01 -0.146219D+01  0.325293D+01  0.464213D+02 -0.113501D+02
      3  -0.123892D+01  0.701547D+00  0.341735D+00 -0.225146D+02  0.752613D+01
      4   0.533302D+01  0.415347D+00  0.672691D+01 -0.189307D+02  0.311722D+01
      5   0.166599D+01  0.233201D+01  0.160722D+01  0.520976D+01 -0.482377D+01
      6  -0.985060D+00  0.956892D-01 -0.110507D+01 -0.135769D+01  0.814227D+01
               151           152           153           154           155 
      1   0.249231D+01  0.114907D+02 -0.418465D+01 -0.944373D+01 -0.516259D+01
      2  -0.158958D+01 -0.217129D+02  0.731903D+01 -0.234478D+01  0.603064D+01
      3  -0.902738D+00  0.102222D+02 -0.313438D+01  0.117885D+02 -0.868048D+00
      4  -0.211397D+01  0.968658D+01 -0.479926D+01  0.132558D+02 -0.519212D+00
      5   0.205509D+01 -0.537860D+01  0.346184D+01  0.602404D+01  0.501892D+00
      6  -0.571380D+00  0.708952D+01 -0.684781D+01  0.493612D+01  0.391835D+01
               156           157           158           159           160 
      1  -0.110447D+02  0.640267D+00 -0.190394D+01  0.338229D+01 -0.843893D+01
      2  -0.813416D+00  0.191693D+01  0.226216D+01 -0.647185D+00 -0.775536D+00
      3   0.118581D+02 -0.255719D+01 -0.358216D+00 -0.273510D+01  0.921447D+01
      4   0.619278D+01 -0.633910D-01  0.131617D+01  0.405044D+00  0.802317D+01
      5   0.349098D+01  0.499962D+00  0.174730D+01  0.582904D+00  0.579165D+01
      6   0.602056D+01  0.191862D+01 -0.152765D+01  0.132758D+01  0.296659D+01
               161           162           163           164           165 
      1   0.172123D+00 -0.963166D+01  0.107795D+02  0.626644D+00 -0.181816D+01
      2  -0.646186D+00 -0.261806D+01 -0.104275D+02 -0.185431D+01  0.760177D+01
      3   0.474063D+00  0.122497D+02 -0.351969D+00  0.122766D+01 -0.578361D+01
      4   0.152289D+00  0.242886D+01 -0.177622D+02  0.152135D+02  0.146930D+02
      5  -0.171198D+01 -0.101598D-01 -0.228628D+02  0.117093D+02  0.224099D+02
      6   0.405022D+01  0.633945D+01  0.122268D+02 -0.113820D+02 -0.137037D+02
               166           167           168           169           170 
      1   0.695120D+00 -0.310282D+01 -0.194109D+01 -0.387886D+01 -0.343511D+01
      2  -0.169292D+01  0.576032D+01  0.689428D+00  0.806876D+01 -0.288927D+00
      3   0.997797D+00 -0.265750D+01  0.125166D+01 -0.418990D+01  0.372403D+01
      4   0.923834D+01 -0.101176D+02 -0.736619D+01  0.150077D+02 -0.114626D+02
      5   0.520073D+01 -0.685255D+01 -0.589238D+01  0.214591D+02 -0.127200D+02
      6  -0.706192D+01  0.746626D+01  0.946930D+01 -0.124439D+02  0.141883D+02
               171           172           173           174           175 
      1  -0.622235D+01  0.659564D+02 -0.132076D+02 -0.193482D+02 -0.128805D+02
      2  -0.950300D+01 -0.311611D+02  0.354062D+01  0.827704D+01  0.291338D+01
      3   0.157254D+02 -0.347953D+02  0.966698D+01  0.110712D+02  0.996710D+01
      4  -0.151858D+02 -0.224453D+02  0.148658D+02  0.820652D+01  0.178112D+02
      5  -0.269599D+02 -0.197650D+02  0.627946D+01  0.165907D+02  0.548224D+01
      6   0.205800D+02  0.454479D+01 -0.136117D+01 -0.330146D+01 -0.163480D+01
               176           177           178           179           180 
      1   0.884672D+01  0.561585D+01 -0.430226D+02  0.105040D+02  0.154326D+02
      2  -0.195917D+01 -0.176358D+01  0.205121D+02 -0.364168D+01 -0.909253D+01
      3  -0.688755D+01 -0.385227D+01  0.225105D+02 -0.686229D+01 -0.634003D+01
      4  -0.113221D+02 -0.307845D+01  0.169406D+02 -0.100998D+02 -0.806683D+01
      5  -0.216099D+01 -0.490516D+01  0.234020D+02 -0.725619D+01 -0.200981D+02
      6   0.714878D+00  0.422102D+01 -0.481047D+01  0.437984D+01  0.471925D+01
               181           182           183           184           185 
      1   0.206016D+02  0.983604D+01  0.725778D+01  0.232239D+02  0.834005D+01
      2  -0.127053D+02 -0.690436D+01 -0.669951D+01 -0.148203D+02 -0.567748D+01
      3  -0.789635D+01 -0.293168D+01 -0.558275D+00 -0.840352D+01 -0.266257D+01
      4   0.940896D+01  0.100668D+02  0.765001D+01  0.138869D+02  0.227144D+02
      5   0.103960D+02  0.896214D+01  0.122973D+02  0.157724D+02  0.145853D+02
      6   0.294323D+01  0.145751D+01  0.110013D+01  0.227624D+01  0.485101D+01
               186           187           188           189           190 
      1   0.104684D+02  0.112690D+02  0.734769D+01  0.894538D+01  0.152313D+01
      2  -0.105559D+02 -0.100942D+02 -0.804310D+01 -0.118668D+02 -0.115089D+00
      3   0.874263D-01 -0.117485D+01  0.695407D+00  0.292144D+01 -0.140804D+01
      4   0.140185D+02  0.841992D+01  0.137433D+02  0.852483D+01 -0.331156D+01
      5   0.164143D+02  0.181418D+02  0.997571D+01  0.210747D+02 -0.189426D-01
      6   0.472724D+01  0.110846D+01  0.572750D+01  0.237776D+01 -0.176492D+01
               191           192           193           194           195 
      1  -0.652759D+01  0.273370D+01 -0.990072D+01 -0.833064D+01  0.771558D+01
      2   0.406665D+01 -0.105682D+01  0.307297D+01  0.136694D+02 -0.480301D+01
      3   0.246094D+01 -0.167688D+01  0.682775D+01 -0.533880D+01 -0.291256D+01
      4   0.238612D+01  0.484151D+00  0.150460D+02 -0.327883D+02  0.199712D+02
      5   0.107023D+00  0.183227D+01 -0.711037D+01  0.196861D+02 -0.181902D+02
      6  -0.144261D+01  0.102578D+01  0.451671D+01 -0.174110D+02  0.148926D+02
               196           197           198           199           200 
      1   0.444198D+01  0.828281D+01 -0.477670D+01 -0.961966D+00  0.165778D+01
      2  -0.290934D+01 -0.560008D+01 -0.159546D+01 -0.447340D+00  0.471024D-01
      3  -0.153264D+01 -0.268273D+01  0.637216D+01  0.140931D+01 -0.170488D+01
      4  -0.609072D+01  0.207475D+02 -0.162811D+02  0.310087D+01  0.496150D+01
      5   0.117912D+02 -0.163883D+02  0.220435D+02 -0.133520D+01 -0.212084D+01
      6  -0.385034D+01  0.145539D+02 -0.144139D+02 -0.223337D+01 -0.889353D+00
               201           202           203           204           205 
      1  -0.135704D+01  0.244959D+01 -0.116891D+02  0.637007D+01 -0.115355D+01
      2   0.553730D+00 -0.177010D+00  0.103559D+02 -0.191931D+01  0.358464D+01
      3   0.803314D+00 -0.227258D+01  0.133326D+01 -0.445076D+01 -0.243109D+01
      4  -0.118198D+01  0.487246D+01  0.830917D+01 -0.340177D+01 -0.707969D+00
      5   0.172098D+01 -0.272189D+01 -0.492494D+01  0.325600D+01  0.201290D+01
      6   0.520442D+00 -0.118353D+01 -0.111579D+02  0.690350D+01  0.202776D+01
               206           207           208           209           210 
      1   0.520911D+01 -0.208441D+01 -0.710911D+00 -0.147499D+01  0.623181D+00
      2  -0.246597D+01  0.711571D+00  0.235051D+01  0.930126D+00 -0.300914D+00
      3  -0.274315D+01  0.137284D+01 -0.163960D+01  0.544866D+00 -0.322267D+00
      4  -0.160179D+01  0.896939D+00 -0.164565D+01  0.485753D+01 -0.138480D+01
      5   0.223933D+01 -0.820975D+00  0.926417D+00 -0.759366D+00  0.690356D+00
      6   0.509670D+01 -0.427266D+01 -0.116906D+01  0.102140D+01 -0.209130D+00
               211           212           213           214           215 
      1  -0.514166D+01 -0.192527D+02  0.462799D+01  0.300175D+01  0.612654D+01
      2   0.290675D+01  0.242790D+02 -0.421912D+01 -0.290846D+00 -0.645862D+01
      3   0.223491D+01 -0.502632D+01 -0.408866D+00 -0.271090D+01  0.332077D+00
      4   0.258039D+01 -0.171725D+02  0.395556D+01 -0.213981D+01  0.619302D+01
      5  -0.900815D+00  0.322292D+01 -0.247662D+01 -0.680599D+00 -0.256358D+01
      6   0.705589D+00 -0.354778D+01  0.501867D+01  0.147878D+01  0.415872D+01
               216           217           218           219           220 
      1  -0.471939D+01  0.539793D+01  0.537400D+01 -0.600306D+01  0.390771D+01
      2   0.349607D+01 -0.430604D+01 -0.424309D+01  0.189875D+01 -0.209120D+01
      3   0.122332D+01 -0.109189D+01 -0.113091D+01  0.410432D+01 -0.181651D+01
      4  -0.323443D+01  0.226110D+01 -0.289953D+01 -0.964968D+00  0.211355D+01
      5   0.204609D+01 -0.328029D+01  0.359783D+00  0.844758D-01  0.723410D-01
      6  -0.316032D+01 -0.193038D+01  0.992504D+00 -0.221427D+01 -0.762745D+00
               221           222           223           224           225 
      1  -0.691676D+01  0.366498D+01 -0.920386D+01  0.379322D+01 -0.162523D+02
      2   0.506507D+01 -0.284764D+01  0.560383D+01 -0.160514D+01 -0.758401D+01
      3   0.185169D+01 -0.817339D+00  0.360003D+01 -0.218807D+01  0.238363D+02
      4   0.597418D+01 -0.503008D+01 -0.951442D+01 -0.142387D+02  0.120837D+02
      5  -0.530712D+01  0.625505D+01  0.107516D+02  0.138819D+02 -0.466170D+02
      6  -0.389370D+01  0.824082D+01  0.362891D+01  0.118099D+02 -0.225897D+02
               226           227           228           229           230 
      1   0.862354D+02  0.202431D+02  0.540782D+01  0.836712D+01  0.753518D+01
      2  -0.389265D+02 -0.540875D+01 -0.204989D+01 -0.265397D+00 -0.138099D-01
      3  -0.473090D+02 -0.148343D+02 -0.335793D+01 -0.810173D+01 -0.752137D+01
      4   0.423258D+02  0.228135D+02  0.301999D+01  0.149626D+02  0.955791D+01
      5   0.992506D+00  0.633114D+00  0.124145D+02  0.582732D+00  0.188930D+01
      6   0.260432D+01  0.312387D+00  0.431810D+01 -0.243779D+00  0.100342D+01
               231           232           233           234           235 
      1   0.260364D+00  0.134542D+02  0.297200D+01  0.716983D+01 -0.620726D+01
      2   0.995639D+00 -0.632780D+01  0.313734D+00 -0.455988D+01  0.629346D+01
      3  -0.125600D+01 -0.712637D+01 -0.328573D+01 -0.260995D+01 -0.862038D-01
      4   0.236779D+01  0.756683D+01  0.569087D+01  0.589280D+01 -0.106135D+01
      5   0.208261D+01  0.112957D+02  0.447768D+01  0.203406D+01  0.442411D+01
      6   0.200926D+01  0.389384D+01  0.284991D+01  0.638502D+00  0.309102D+01
               236           237           238           239           240 
      1   0.153052D+02  0.767678D+01  0.161331D+02 -0.228215D+02 -0.768179D+01
      2  -0.163993D+02 -0.584932D+01 -0.109074D+02  0.298966D+02  0.905068D+01
      3   0.109410D+01 -0.182746D+01 -0.522564D+01 -0.707515D+01 -0.136889D+01
      4  -0.101873D+02 -0.669229D-01  0.248403D+01  0.222794D+02  0.568061D+01
      5  -0.185171D+01 -0.523666D+01 -0.327122D+01  0.724359D+01  0.903360D+01
      6  -0.347962D+01 -0.469342D+01 -0.189358D+01  0.715009D+01  0.742407D+01
               241           242           243 
      1   0.928628D+01 -0.915276D+01 -0.108373D+02
      2  -0.493761D+01  0.122275D+02  0.706131D+01
      3  -0.434867D+01 -0.307473D+01  0.377596D+01
      4   0.303098D+01  0.117143D+02  0.709149D+01
      5  -0.696882D+00  0.899969D+01  0.427106D+01
      6  -0.171188D+01  0.951750D+01  0.558763D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 23:13:23 2021, MaxMem=  5368709120 cpu:           26799.2 elap:            3358.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.25354 -10.38528 -10.32378 -10.31712 -10.31092
 Alpha  occ. eigenvalues --  -10.30219 -10.29790 -10.29705 -10.29300 -10.29212
 Alpha  occ. eigenvalues --  -10.28941  -1.14265  -0.97695  -0.90564  -0.85436
 Alpha  occ. eigenvalues --   -0.83552  -0.79468  -0.78473  -0.72056  -0.69240
 Alpha  occ. eigenvalues --   -0.63051  -0.61233  -0.58098  -0.56785  -0.56254
 Alpha  occ. eigenvalues --   -0.53442  -0.53144  -0.52752  -0.50847  -0.49488
 Alpha  occ. eigenvalues --   -0.48320  -0.48130  -0.46553  -0.45698  -0.44902
 Alpha  occ. eigenvalues --   -0.44278  -0.41943  -0.40670  -0.39959  -0.38070
 Alpha  occ. eigenvalues --   -0.34275  -0.33243
 Alpha virt. eigenvalues --    0.01277   0.03089   0.03967   0.04278   0.04529
 Alpha virt. eigenvalues --    0.05672   0.06000   0.06189   0.06337   0.06540
 Alpha virt. eigenvalues --    0.07714   0.08259   0.08650   0.09286   0.09394
 Alpha virt. eigenvalues --    0.09842   0.10842   0.11622   0.12018   0.12338
 Alpha virt. eigenvalues --    0.12875   0.13099   0.13498   0.13869   0.14212
 Alpha virt. eigenvalues --    0.14577   0.15208   0.15318   0.15788   0.16046
 Alpha virt. eigenvalues --    0.16241   0.16629   0.16948   0.17228   0.17808
 Alpha virt. eigenvalues --    0.17888   0.18191   0.18460   0.19416   0.19524
 Alpha virt. eigenvalues --    0.19978   0.20182   0.20364   0.20742   0.20994
 Alpha virt. eigenvalues --    0.21554   0.21761   0.22340   0.22840   0.23238
 Alpha virt. eigenvalues --    0.23661   0.24225   0.24734   0.25170   0.25888
 Alpha virt. eigenvalues --    0.26218   0.27210   0.27926   0.28242   0.29288
 Alpha virt. eigenvalues --    0.29718   0.30033   0.30415   0.30760   0.31342
 Alpha virt. eigenvalues --    0.31526   0.32700   0.33274   0.33601   0.34098
 Alpha virt. eigenvalues --    0.34398   0.34892   0.35429   0.36023   0.36276
 Alpha virt. eigenvalues --    0.37174   0.37528   0.37979   0.38316   0.38563
 Alpha virt. eigenvalues --    0.39327   0.39454   0.40045   0.40616   0.41370
 Alpha virt. eigenvalues --    0.41552   0.42272   0.42908   0.43233   0.43668
 Alpha virt. eigenvalues --    0.44034   0.44333   0.44889   0.45024   0.46007
 Alpha virt. eigenvalues --    0.46253   0.46981   0.47543   0.48167   0.48511
 Alpha virt. eigenvalues --    0.48654   0.49640   0.49926   0.50977   0.51519
 Alpha virt. eigenvalues --    0.52068   0.52874   0.53463   0.53848   0.54412
 Alpha virt. eigenvalues --    0.54782   0.55298   0.56069   0.57054   0.57465
 Alpha virt. eigenvalues --    0.58071   0.58310   0.59097   0.59545   0.60280
 Alpha virt. eigenvalues --    0.60892   0.61096   0.61483   0.62339   0.62671
 Alpha virt. eigenvalues --    0.62923   0.63273   0.64057   0.64312   0.64847
 Alpha virt. eigenvalues --    0.65290   0.66080   0.66352   0.66982   0.67161
 Alpha virt. eigenvalues --    0.68375   0.68570   0.69639   0.70016   0.70400
 Alpha virt. eigenvalues --    0.71076   0.71573   0.71831   0.72920   0.73467
 Alpha virt. eigenvalues --    0.73901   0.74107   0.74683   0.75260   0.75985
 Alpha virt. eigenvalues --    0.76386   0.76695   0.76919   0.78023   0.78091
 Alpha virt. eigenvalues --    0.78747   0.79313   0.80279   0.80633   0.81524
 Alpha virt. eigenvalues --    0.81822   0.82495   0.82706   0.83995   0.84858
 Alpha virt. eigenvalues --    0.85345   0.85620   0.86455   0.86990   0.87948
 Alpha virt. eigenvalues --    0.88537   0.90266   0.90818   0.91592   0.92203
 Alpha virt. eigenvalues --    0.93049   0.94190   0.94839   0.95284   0.95950
 Alpha virt. eigenvalues --    0.96504   0.97800   0.98590   0.99029   1.00426
 Alpha virt. eigenvalues --    1.00920   1.02737   1.04512   1.05408   1.06242
 Alpha virt. eigenvalues --    1.07523   1.08386   1.08988   1.10173   1.11473
 Alpha virt. eigenvalues --    1.12419   1.13269   1.14184   1.15616   1.16349
 Alpha virt. eigenvalues --    1.17430   1.17984   1.19058   1.20485   1.22635
 Alpha virt. eigenvalues --    1.24733   1.25285   1.26469   1.27616   1.29433
 Alpha virt. eigenvalues --    1.29682   1.30825   1.32698   1.32870   1.35026
 Alpha virt. eigenvalues --    1.35703   1.37100   1.39208   1.39862   1.42361
 Alpha virt. eigenvalues --    1.44619   1.45701   1.46603   1.47270   1.51014
 Alpha virt. eigenvalues --    1.51383   1.52098   1.54700   1.55790   1.56379
 Alpha virt. eigenvalues --    1.56779   1.57473   1.58424   1.61728   1.61925
 Alpha virt. eigenvalues --    1.62986   1.63700   1.66033   1.67046   1.67392
 Alpha virt. eigenvalues --    1.68242   1.69332   1.70180   1.71693   1.72842
 Alpha virt. eigenvalues --    1.73130   1.75041   1.75804   1.76302   1.77692
 Alpha virt. eigenvalues --    1.77908   1.79047   1.80188   1.80746   1.81037
 Alpha virt. eigenvalues --    1.82215   1.83597   1.84986   1.86336   1.87449
 Alpha virt. eigenvalues --    1.87627   1.89140   1.89912   1.92447   1.93229
 Alpha virt. eigenvalues --    1.93488   1.94938   1.96375   1.97442   1.98221
 Alpha virt. eigenvalues --    2.01584   2.01957   2.02835   2.03712   2.05619
 Alpha virt. eigenvalues --    2.07750   2.09176   2.09638   2.10256   2.10890
 Alpha virt. eigenvalues --    2.11817   2.12623   2.14053   2.14646   2.15986
 Alpha virt. eigenvalues --    2.17217   2.18523   2.19648   2.20083   2.21217
 Alpha virt. eigenvalues --    2.21753   2.24058   2.24493   2.26017   2.27968
 Alpha virt. eigenvalues --    2.28607   2.30449   2.32039   2.32638   2.33167
 Alpha virt. eigenvalues --    2.34186   2.36501   2.36750   2.38033   2.39455
 Alpha virt. eigenvalues --    2.40083   2.43760   2.45377   2.46253   2.47056
 Alpha virt. eigenvalues --    2.48314   2.48963   2.50961   2.52110   2.54123
 Alpha virt. eigenvalues --    2.54737   2.56873   2.58607   2.60075   2.61279
 Alpha virt. eigenvalues --    2.64930   2.65996   2.67732   2.68355   2.70167
 Alpha virt. eigenvalues --    2.70979   2.71951   2.73260   2.74135   2.75416
 Alpha virt. eigenvalues --    2.78988   2.80273   2.82170   2.84602   2.86368
 Alpha virt. eigenvalues --    2.87728   2.93424   2.95765   2.97630   3.03186
 Alpha virt. eigenvalues --    3.08145   3.15320   3.16346   3.26424   3.29665
 Alpha virt. eigenvalues --    3.39392   3.48001   3.51745   3.52839   3.56566
 Alpha virt. eigenvalues --    3.73214   3.79212   3.89261   4.03574   5.20735
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.895066  -0.783137   0.841407  -0.340286   0.116206  -0.038219
     2  C   -0.783137   9.576096  -3.070918   1.416760  -0.447602   0.027546
     3  C    0.841407  -3.070918  19.177661  -6.433125  -0.923193  -0.298507
     4  C   -0.340286   1.416760  -6.433125  15.376175  -3.585179  -1.002569
     5  C    0.116206  -0.447602  -0.923193  -3.585179  14.399319  -1.891653
     6  C   -0.038219   0.027546  -0.298507  -1.002569  -1.891653   8.299305
     7  O    0.000818  -0.000265  -0.001383  -0.055526  -0.195923   0.452882
     8  C   -0.464946  -0.451960  -0.399622  -0.125313   0.083430   0.010607
     9  C   -0.020713  -0.406888   0.606729   0.120820  -0.146502  -0.041163
    10  C   -0.489352   0.729410  -2.774337   0.168184  -0.454646   0.004144
    11  C   -0.022212   0.032938  -0.249266  -0.060462  -0.004813   0.269783
    12  H    0.104520  -0.307311   0.351879  -0.165147   0.037574   0.005816
    13  H   -0.179112   0.398164  -0.228403   0.183633   0.054039  -0.003405
    14  H   -0.178599   0.256762  -2.471951   1.041933   0.138490  -0.014906
    15  H   -0.017605  -0.183381   0.107935  -0.204880   0.218153  -0.011328
    16  H    0.037120   0.263846   0.019442   0.395074  -0.029944   0.008701
    17  H    0.251278  -0.015020  -0.003971   0.046568   0.045115  -0.010417
    18  H    0.155037   0.362501  -0.315581   0.067589   0.033933   0.012817
    19  H    0.056093  -0.195477   0.188579  -0.093021  -0.007509   0.001091
    20  H    0.086160   0.020740  -0.113577   0.044050   0.003850  -0.000749
    21  H   -0.103823   0.496982   0.142011  -0.117043  -0.002297  -0.001483
    22  H    0.065819  -0.226420  -0.030472   0.069742   0.015742   0.005472
    23  H    0.041336  -0.200096   0.867112  -1.888712  -0.878073   0.187224
    24  H   -0.018354   0.045351  -0.174191   0.591533  -2.109888   0.050723
    25  H   -0.000329  -0.004873  -0.017022   0.122588  -0.220698   0.021763
    26  H    0.000607   0.000737   0.005418  -0.088890   0.352434   0.001702
    27  H   -0.015534   0.008476  -0.013986   0.072855  -0.199021   0.012820
               7          8          9         10         11         12
     1  C    0.000818  -0.464946  -0.020713  -0.489352  -0.022212   0.104520
     2  C   -0.000265  -0.451960  -0.406888   0.729410   0.032938  -0.307311
     3  C   -0.001383  -0.399622   0.606729  -2.774337  -0.249266   0.351879
     4  C   -0.055526  -0.125313   0.120820   0.168184  -0.060462  -0.165147
     5  C   -0.195923   0.083430  -0.146502  -0.454646  -0.004813   0.037574
     6  C    0.452882   0.010607  -0.041163   0.004144   0.269783   0.005816
     7  O    8.434170   0.000285  -0.004330   0.006670  -0.003755  -0.000332
     8  C    0.000285   5.948766  -0.501154   0.565738   0.009823  -0.000236
     9  C   -0.004330  -0.501154   6.585530  -0.793194  -0.006628  -0.135041
    10  C    0.006670   0.565738  -0.793194   8.719870   0.019344  -0.116585
    11  C   -0.003755   0.009823  -0.006628   0.019344   4.826051  -0.001299
    12  H   -0.000332  -0.000236  -0.135041  -0.116585  -0.001299   2.558666
    13  H    0.001161   0.004622  -0.557374   0.054388   0.004495  -0.750146
    14  H    0.000201  -0.006991   0.062237   0.349815   0.015235   0.039277
    15  H   -0.002576  -0.013628   0.373128  -0.592742   0.008861   0.157246
    16  H    0.000738  -0.027330  -0.199943  -0.546662  -0.000259  -0.259691
    17  H    0.000085  -0.146222   0.060419  -0.062003   0.002299   0.007207
    18  H    0.000334  -0.095950  -0.074525   0.103264  -0.016145   0.020489
    19  H   -0.000048   0.284256  -0.105464   0.012463   0.001380   0.019227
    20  H    0.000010   0.117708   0.001616   0.037541   0.000666  -0.041421
    21  H    0.000054   0.024354  -0.013424  -0.121839   0.000110  -0.046778
    22  H   -0.000028   0.316329  -0.045069   0.007812   0.000351   0.018099
    23  H   -0.009674   0.031289  -0.051267   0.001155  -0.070923  -0.015132
    24  H   -0.069805  -0.006033   0.027999   0.016217  -0.092892   0.017494
    25  H    0.028548  -0.000021  -0.001369   0.001559   0.401941  -0.000130
    26  H   -0.036750  -0.000069  -0.000277   0.001939  -0.022639  -0.000020
    27  H    0.027202   0.003036   0.005146  -0.006673   0.436566   0.000509
              13         14         15         16         17         18
     1  C   -0.179112  -0.178599  -0.017605   0.037120   0.251278   0.155037
     2  C    0.398164   0.256762  -0.183381   0.263846  -0.015020   0.362501
     3  C   -0.228403  -2.471951   0.107935   0.019442  -0.003971  -0.315581
     4  C    0.183633   1.041933  -0.204880   0.395074   0.046568   0.067589
     5  C    0.054039   0.138490   0.218153  -0.029944   0.045115   0.033933
     6  C   -0.003405  -0.014906  -0.011328   0.008701  -0.010417   0.012817
     7  O    0.001161   0.000201  -0.002576   0.000738   0.000085   0.000334
     8  C    0.004622  -0.006991  -0.013628  -0.027330  -0.146222  -0.095950
     9  C   -0.557374   0.062237   0.373128  -0.199943   0.060419  -0.074525
    10  C    0.054388   0.349815  -0.592742  -0.546662  -0.062003   0.103264
    11  C    0.004495   0.015235   0.008861  -0.000259   0.002299  -0.016145
    12  H   -0.750146   0.039277   0.157246  -0.259691   0.007207   0.020489
    13  H    2.678236  -0.032144  -0.270520   0.198820   0.000850  -0.026591
    14  H   -0.032144   2.776396   0.193392  -0.240674   0.013412   0.001307
    15  H   -0.270520   0.193392   2.548236  -0.692318  -0.003510   0.006878
    16  H    0.198820  -0.240674  -0.692318   2.515388  -0.002330   0.002336
    17  H    0.000850   0.013412  -0.003510  -0.002330   1.748510  -0.359856
    18  H   -0.026591   0.001307   0.006878   0.002336  -0.359856   1.773468
    19  H   -0.041623  -0.005539   0.009198  -0.004688  -0.406397  -0.434689
    20  H    0.026443   0.019999  -0.000430   0.005682   0.025380   0.013792
    21  H    0.013109  -0.058845  -0.012281   0.004347   0.006562  -0.034938
    22  H   -0.011686  -0.033392   0.001155   0.003321  -0.072765   0.024835
    23  H    0.017970  -0.231430  -0.031217   0.023262  -0.052598  -0.032772
    24  H   -0.016814  -0.049793  -0.086326   0.035185  -0.008512   0.002922
    25  H    0.000755   0.002801   0.001830  -0.000274   0.002006  -0.000028
    26  H    0.000089   0.002201  -0.001158   0.000296   0.001977  -0.001360
    27  H   -0.001370   0.001816   0.001276  -0.000664  -0.003883  -0.000917
              19         20         21         22         23         24
     1  C    0.056093   0.086160  -0.103823   0.065819   0.041336  -0.018354
     2  C   -0.195477   0.020740   0.496982  -0.226420  -0.200096   0.045351
     3  C    0.188579  -0.113577   0.142011  -0.030472   0.867112  -0.174191
     4  C   -0.093021   0.044050  -0.117043   0.069742  -1.888712   0.591533
     5  C   -0.007509   0.003850  -0.002297   0.015742  -0.878073  -2.109888
     6  C    0.001091  -0.000749  -0.001483   0.005472   0.187224   0.050723
     7  O   -0.000048   0.000010   0.000054  -0.000028  -0.009674  -0.069805
     8  C    0.284256   0.117708   0.024354   0.316329   0.031289  -0.006033
     9  C   -0.105464   0.001616  -0.013424  -0.045069  -0.051267   0.027999
    10  C    0.012463   0.037541  -0.121839   0.007812   0.001155   0.016217
    11  C    0.001380   0.000666   0.000110   0.000351  -0.070923  -0.092892
    12  H    0.019227  -0.041421  -0.046778   0.018099  -0.015132   0.017494
    13  H   -0.041623   0.026443   0.013109  -0.011686   0.017970  -0.016814
    14  H   -0.005539   0.019999  -0.058845  -0.033392  -0.231430  -0.049793
    15  H    0.009198  -0.000430  -0.012281   0.001155  -0.031217  -0.086326
    16  H   -0.004688   0.005682   0.004347   0.003321   0.023262   0.035185
    17  H   -0.406397   0.025380   0.006562  -0.072765  -0.052598  -0.008512
    18  H   -0.434689   0.013792  -0.034938   0.024835  -0.032772   0.002922
    19  H    1.873325  -0.053165   0.021997   0.039523   0.020819   0.000901
    20  H   -0.053165   1.783014  -0.410412  -0.388091  -0.007968  -0.001950
    21  H    0.021997  -0.410412   1.801376  -0.413672   0.005333   0.000494
    22  H    0.039523  -0.388091  -0.413672   1.780155   0.024075   0.004652
    23  H    0.020819  -0.007968   0.005333   0.024075   4.268038   0.285215
    24  H    0.000901  -0.001950   0.000494   0.004652   0.285215   3.615074
    25  H   -0.000283   0.000186  -0.000318  -0.000134  -0.065911  -0.025812
    26  H    0.000099   0.000042  -0.000037  -0.000092  -0.003598   0.010742
    27  H   -0.001297  -0.000137  -0.000098   0.000798  -0.041792  -0.016295
              25         26         27
     1  C   -0.000329   0.000607  -0.015534
     2  C   -0.004873   0.000737   0.008476
     3  C   -0.017022   0.005418  -0.013986
     4  C    0.122588  -0.088890   0.072855
     5  C   -0.220698   0.352434  -0.199021
     6  C    0.021763   0.001702   0.012820
     7  O    0.028548  -0.036750   0.027202
     8  C   -0.000021  -0.000069   0.003036
     9  C   -0.001369  -0.000277   0.005146
    10  C    0.001559   0.001939  -0.006673
    11  C    0.401941  -0.022639   0.436566
    12  H   -0.000130  -0.000020   0.000509
    13  H    0.000755   0.000089  -0.001370
    14  H    0.002801   0.002201   0.001816
    15  H    0.001830  -0.001158   0.001276
    16  H   -0.000274   0.000296  -0.000664
    17  H    0.002006   0.001977  -0.003883
    18  H   -0.000028  -0.001360  -0.000917
    19  H   -0.000283   0.000099  -0.001297
    20  H    0.000186   0.000042  -0.000137
    21  H   -0.000318  -0.000037  -0.000098
    22  H   -0.000134  -0.000092   0.000798
    23  H   -0.065911  -0.003598  -0.041792
    24  H   -0.025812   0.010742  -0.016295
    25  H    1.113573  -0.269621  -0.104239
    26  H   -0.269621   1.665663  -0.283675
    27  H   -0.104239  -0.283675   1.100840
 Mulliken charges:
               1
     1  C    1.020755
     2  C   -1.342959
     3  C    1.211331
     4  C    0.442648
     5  C    1.598655
     6  C   -0.057996
     7  O   -0.572763
     8  C    0.839229
     9  C    1.260701
    10  C    1.158521
    11  C    0.521450
    12  H   -0.498734
    13  H   -0.517586
    14  H   -0.591011
    15  H   -0.503389
    16  H   -0.508779
    17  H   -0.064184
    18  H   -0.188152
    19  H   -0.179751
    20  H   -0.168976
    21  H   -0.179443
    22  H   -0.156059
    23  H   -1.191666
    24  H   -1.027837
    25  H    0.013513
    26  H   -0.335758
    27  H    0.018242
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.588668
     2  C   -1.342959
     3  C    0.620319
     4  C   -0.749018
     5  C    0.570817
     6  C   -0.057996
     7  O   -0.572763
     8  C    0.334751
     9  C    0.244381
    10  C    0.146353
    11  C    0.217446
 Electronic spatial extent (au):  <R**2>=           2374.0794
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.4684    Y=              2.0301    Z=             -1.3722  Tot=              4.2467
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -80.7927   YY=            -68.5150   ZZ=            -69.1290
   XY=              7.9651   XZ=             -4.2509   YZ=              0.3229
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.9805   YY=              4.2973   ZZ=              3.6832
   XY=              7.9651   XZ=             -4.2509   YZ=              0.3229
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -51.5546  YYY=             -0.9455  ZZZ=              0.4535  XYY=              0.6448
  XXY=             27.8385  XXZ=            -16.7043  XZZ=              0.1864  YZZ=              1.7143
  YYZ=             -1.4751  XYZ=              1.9105
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2591.8082 YYYY=           -561.3754 ZZZZ=           -288.3973 XXXY=            114.8319
 XXXZ=            -72.0687 YYYX=             -0.9555 YYYZ=             -3.5472 ZZZX=              5.1347
 ZZZY=             -3.7041 XXYY=           -499.3660 XXZZ=           -446.7726 YYZZ=           -142.4145
 XXYZ=             20.4106 YYXZ=              1.7416 ZZXY=              2.2172
 N-N= 6.147557599578D+02 E-N=-2.310779066523D+03  KE= 4.628789302991D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 23:13:23 2021, MaxMem=  5368709120 cpu:               2.5 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.35546403D+00 7.54876856D-01-5.22841286D-01
 Polarizability= 1.56096594D+02-4.54232330D+00 1.13939386D+02
                 6.47779059D+00-3.98160192D+00 9.80024603D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.7604   -3.7602       -2.9872   -2.9845
 2      3.7605    3.7602        2.0990    2.0997      -23.2557  -23.2511
 3      2.9872    2.9845       31.2421   31.2369       -2.0973   -2.0997
 4     -2.0990   -2.0997       -0.0000    0.0000        2.9841    2.9845
 5     -7.9864   -7.9858       -2.9841   -2.9845       -3.7629   -3.7602
 6      2.0973    2.0997        3.7629    3.7602        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       11.2806   11.2806       -8.9534   -8.9534
 2     -6.2991   -6.2991       -0.0000    0.0000       -8.9534   -8.9534
 3     -6.2991   -6.2991       11.2806   11.2806       -0.0000    0.0000
 4     11.2806   11.2806        6.2991    6.2991      -69.7533  -69.7533
 5      8.9534    8.9534       93.7106   93.7106       -6.2991   -6.2991
 6    -23.9573  -23.9573       -8.9534   -8.9534      -11.2806  -11.2806
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2029    0.0000       14.4632   15.0408       12.2370   11.9379
 2    -15.1458  -15.0408       -8.3406   -8.3988       92.9915   93.0044
 3    -11.9730  -11.9379     -125.0732 -124.9474        8.5544    8.3988
 4      8.4641    8.3988        0.1822    0.0000      -11.6593  -11.9379
 5     31.7985   31.9430       11.7945   11.9379       14.6574   15.0408
 6     -8.3937   -8.3988      -14.9333  -15.0408        0.0807    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.4273    0.0000       -9.8834   -9.5100      -42.7773  -42.3736
 2      9.3577    9.5100      -10.0958   -9.6879       41.7225   41.7853
 3     41.7223   42.3736       21.1819   21.3459       11.2094    9.6879
 4      9.5909    9.6879       -0.1318    0.0000       42.6245   42.3736
 5    -63.5158  -63.1312      -41.9436  -42.3736       -9.0487   -9.5100
 6     -9.8711   -9.6879        9.8938    9.5100        0.2426    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     26.3544   26.3181       16.8310   16.3766       32.2509   31.5609
 2     41.7131   41.5497       14.3211   14.3542       31.7141   31.5609
 3     41.7087   41.5497       16.5078   16.3766       56.3498   55.8990
 4      1.9478    2.0224      -15.5956  -15.2316       44.7952   44.6596
 5     23.9187   24.3380       46.5698   46.3599       16.0322   15.2316
 6    -91.2967  -91.0196      -24.0729  -24.3380       -1.9166   -2.0224
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0007    0.0002    0.0004    1.3636    4.2058    7.7124
 Low frequencies ---   34.4183   64.1305   77.5392
 Diagonal vibrational polarizability:
       20.7848993      12.8922940      65.1871880
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     34.4020                64.1213                77.5359
 Red. masses --      4.0133                 2.8285                 3.4063
 Frc consts  --      0.0028                 0.0069                 0.0121
 IR Inten    --      3.3014                 0.3621                 0.7785
 RamAct Fr= 1--      1.7432                 0.4554                 0.7044
  Dep-P Fr= 1--      0.7412                 0.5479                 0.6502
  Dep-U Fr= 1--      0.8514                 0.7079                 0.7880
 Alpha2 Fr= 1--      0.0003                 0.0018                 0.0013
 Beta2  Fr= 1--      0.2474                 0.0537                 0.0925
 AlphaG Fr= 1--     -0.0018                -0.0048                -0.0093
 Gamma2 Fr= 1--      0.9394                -0.1226                 0.1761
 Delta2 Fr= 1--      0.4517                -0.0027                 0.1825
 Raman1 Fr= 1--       6.973                  1.821                  2.818
 ROA1   Fr= 1--     104.633                -11.859                 22.742
 CID1   Fr= 1--      15.005                 -6.511                  8.071
 Raman2 Fr= 1--       2.968                  0.645                  1.110
 ROA2   Fr= 1--      18.932                 -2.921                  2.766
 CID2   Fr= 1--       6.378                 -4.530                  2.491
 Raman3 Fr= 1--       5.937                  1.289                  2.220
 ROA3   Fr= 1--     104.633                -11.859                 22.742
 CID3   Fr= 1--      17.625                 -9.197                 10.242
 RC180  Fr= 1--       0.703                  0.416                  0.576
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.07   0.07     0.03   0.10  -0.12     0.22  -0.05  -0.03
     2   6     0.04  -0.02   0.03     0.04   0.01  -0.00     0.07  -0.00  -0.01
     3   6    -0.02   0.03  -0.07    -0.02   0.03  -0.08    -0.02  -0.11  -0.04
     4   6    -0.01   0.00  -0.10    -0.01   0.01  -0.08    -0.02  -0.12  -0.10
     5   6    -0.05   0.04   0.02    -0.04  -0.01  -0.05    -0.01  -0.07  -0.06
     6   6    -0.05   0.03   0.04    -0.04  -0.03   0.03    -0.05   0.03   0.01
     7   8    -0.12   0.10   0.26    -0.07  -0.06   0.02    -0.00   0.09   0.01
     8   6     0.01   0.03   0.12    -0.06  -0.13   0.11     0.08   0.14   0.03
     9   6     0.07  -0.06  -0.05     0.21   0.04   0.05    -0.04   0.01   0.01
    10   6    -0.01   0.01  -0.13     0.01   0.03  -0.05    -0.06  -0.07   0.03
    11   6     0.04  -0.08  -0.22    -0.02   0.00   0.14    -0.18   0.10   0.12
    12   1     0.08  -0.07  -0.01     0.27   0.02   0.26    -0.07   0.09  -0.02
    13   1     0.12  -0.12  -0.09     0.38   0.09  -0.08    -0.06  -0.02   0.03
    14   1    -0.07   0.10  -0.04    -0.05   0.05  -0.06    -0.07  -0.14  -0.04
    15   1    -0.01  -0.02  -0.22     0.00  -0.02  -0.20    -0.07  -0.07   0.07
    16   1    -0.06   0.06  -0.12    -0.12   0.09   0.04    -0.07  -0.09   0.06
    17   1     0.07  -0.04   0.12    -0.09   0.07  -0.19     0.30  -0.07  -0.03
    18   1     0.12  -0.11   0.01     0.08   0.20  -0.19     0.21  -0.16  -0.06
    19   1     0.13  -0.11   0.13     0.08   0.10  -0.08     0.27   0.03  -0.01
    20   1     0.05  -0.00   0.17    -0.00  -0.16   0.18     0.14   0.23   0.05
    21   1    -0.03   0.07   0.08    -0.06  -0.18   0.19    -0.03   0.17   0.05
    22   1    -0.02   0.07   0.16    -0.20  -0.15   0.06     0.16   0.12   0.02
    23   1     0.03  -0.04  -0.21     0.00   0.01  -0.07    -0.03  -0.13  -0.14
    24   1    -0.09   0.09   0.15    -0.06  -0.01  -0.07     0.03  -0.07  -0.03
    25   1     0.11  -0.29  -0.26    -0.00   0.09   0.15    -0.19   0.19   0.13
    26   1     0.04  -0.08  -0.19    -0.03  -0.02   0.18    -0.19   0.18   0.13
    27   1     0.05   0.05  -0.40    -0.03  -0.04   0.19    -0.24  -0.00   0.19
                      4                      5                      6
                      A                      A                      A
 Frequencies --    128.2250               147.9504               169.2586
 Red. masses --      1.0267                 3.5228                 3.0842
 Frc consts  --      0.0099                 0.0454                 0.0521
 IR Inten    --      0.0183                 1.4253                 2.5397
 RamAct Fr= 1--      0.1110                 0.4336                 0.4507
  Dep-P Fr= 1--      0.5736                 0.7318                 0.7447
  Dep-U Fr= 1--      0.7290                 0.8452                 0.8537
 Alpha2 Fr= 1--      0.0004                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0135                 0.0611                 0.0641
 AlphaG Fr= 1--     -0.0013                 0.0053                -0.0006
 Gamma2 Fr= 1--     -0.0279                -0.4943                 0.7761
 Delta2 Fr= 1--      0.0195                -0.0713                 0.0509
 Raman1 Fr= 1--       0.444                  1.734                  1.803
 ROA1   Fr= 1--      -2.056                -49.736                 76.136
 CID1   Fr= 1--      -4.631                -28.676                 42.235
 Raman2 Fr= 1--       0.162                  0.733                  0.769
 ROA2   Fr= 1--      -0.826                -11.293                 18.219
 CID2   Fr= 1--      -5.103                -15.408                 23.677
 Raman3 Fr= 1--       0.324                  1.466                  1.539
 ROA3   Fr= 1--      -2.056                -49.736                 76.136
 CID3   Fr= 1--      -6.353                -33.930                 49.473
 RC180  Fr= 1--       0.458                  0.690                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.05  -0.01  -0.03     0.05  -0.07  -0.00
     2   6     0.00   0.00   0.00     0.02  -0.01  -0.02    -0.02  -0.03  -0.01
     3   6    -0.00   0.00   0.00     0.01  -0.00  -0.04    -0.03  -0.05  -0.02
     4   6    -0.00   0.00   0.01     0.00  -0.03  -0.00    -0.04   0.09  -0.16
     5   6     0.00  -0.00   0.00    -0.10   0.10   0.37    -0.06   0.17  -0.02
     6   6    -0.00   0.00   0.01    -0.03   0.02   0.08    -0.02   0.05  -0.01
     7   8     0.01  -0.01  -0.03     0.06  -0.04  -0.17    -0.13  -0.09  -0.03
     8   6    -0.00   0.00   0.00     0.01   0.00   0.01    -0.01   0.02   0.01
     9   6     0.00   0.00   0.00     0.04  -0.02  -0.03    -0.05  -0.02   0.02
    10   6    -0.00   0.00   0.00    -0.02  -0.00  -0.07     0.12  -0.04   0.13
    11   6    -0.01   0.00   0.01    -0.06   0.00  -0.01     0.17   0.02   0.08
    12   1     0.00   0.00   0.01     0.05  -0.01   0.01    -0.08  -0.05  -0.12
    13   1     0.00   0.00   0.00     0.08  -0.04  -0.06    -0.19   0.03   0.12
    14   1     0.00   0.00   0.00     0.02   0.03  -0.04    -0.14  -0.18  -0.01
    15   1    -0.00  -0.00  -0.00    -0.04  -0.04  -0.14     0.21   0.10   0.27
    16   1    -0.01   0.00   0.00    -0.07   0.05  -0.07     0.24  -0.24   0.13
    17   1     0.00   0.00  -0.00     0.05  -0.02  -0.04     0.07  -0.06   0.01
    18   1     0.00   0.00   0.00     0.05  -0.02  -0.04     0.05  -0.12  -0.03
    19   1     0.00   0.00   0.00     0.06   0.01  -0.02     0.08  -0.06   0.02
    20   1     0.00   0.00   0.00     0.03  -0.00   0.02     0.01   0.07   0.01
    21   1    -0.00   0.00   0.00    -0.00   0.01   0.00    -0.06   0.03   0.02
    22   1    -0.00   0.00   0.00     0.00   0.01   0.01     0.02   0.01  -0.01
    23   1    -0.00   0.01   0.02     0.11  -0.16  -0.33    -0.07   0.04  -0.34
    24   1     0.01  -0.01  -0.02    -0.18   0.22   0.68    -0.11   0.23   0.11
    25   1     0.52  -0.23  -0.11    -0.12  -0.06  -0.01     0.26   0.08   0.07
    26   1    -0.14   0.19   0.50    -0.04   0.00  -0.11     0.17  -0.10   0.16
    27   1    -0.39   0.01  -0.45    -0.02   0.04  -0.02     0.20   0.06   0.06
                      7                      8                      9
                      A                      A                      A
 Frequencies --    237.0555               254.0247               269.2980
 Red. masses --      1.4304                 1.9393                 1.2521
 Frc consts  --      0.0474                 0.0737                 0.0535
 IR Inten    --      0.0380                 0.2095                 0.0712
 RamAct Fr= 1--      0.6220                 2.8456                 1.1817
  Dep-P Fr= 1--      0.7155                 0.1544                 0.1818
  Dep-U Fr= 1--      0.8342                 0.2675                 0.3076
 Alpha2 Fr= 1--      0.0004                 0.0435                 0.0168
 Beta2  Fr= 1--      0.0865                 0.1269                 0.0606
 AlphaG Fr= 1--     -0.0032                 0.0284                 0.0504
 Gamma2 Fr= 1--     -0.1993                 0.0613                 0.3962
 Delta2 Fr= 1--      0.0675                 0.2166                -0.0456
 Raman1 Fr= 1--       2.488                 11.382                  4.727
 ROA1   Fr= 1--     -16.975                 12.816                 36.580
 CID1   Fr= 1--      -6.822                  1.126                  7.739
 Raman2 Fr= 1--       1.038                  1.523                  0.727
 ROA2   Fr= 1--      -5.323                 -0.262                  9.874
 CID2   Fr= 1--      -5.130                 -0.172                 13.583
 Raman3 Fr= 1--       2.076                  3.045                  1.454
 ROA3   Fr= 1--     -16.975                 12.816                 36.580
 CID3   Fr= 1--      -8.178                  4.209                 25.160
 RC180  Fr= 1--       0.668                 -0.465                 -0.385
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.01  -0.09     0.01  -0.01  -0.06     0.04  -0.01  -0.02
     2   6    -0.02  -0.02  -0.00    -0.04  -0.01  -0.02     0.00  -0.02   0.02
     3   6    -0.01  -0.00   0.01    -0.03  -0.04  -0.01    -0.00   0.01   0.02
     4   6    -0.01   0.01   0.05     0.00  -0.05   0.01    -0.03   0.06   0.08
     5   6     0.02   0.01   0.00     0.05   0.01   0.01    -0.02   0.02   0.00
     6   6     0.02   0.02   0.01     0.08   0.03   0.01    -0.03   0.01   0.01
     7   8     0.02   0.01   0.00     0.08   0.03   0.01    -0.04  -0.01  -0.01
     8   6    -0.07  -0.01   0.08    -0.09   0.01   0.07     0.03  -0.01  -0.02
     9   6    -0.05  -0.03  -0.02    -0.08  -0.00  -0.02     0.02  -0.04   0.00
    10   6    -0.02  -0.01  -0.02    -0.12  -0.02  -0.03     0.01  -0.01  -0.02
    11   6     0.05   0.01   0.00     0.13   0.03   0.03    -0.01  -0.00  -0.02
    12   1    -0.07  -0.03  -0.08    -0.10   0.04  -0.02     0.03  -0.06   0.01
    13   1    -0.09  -0.07   0.00    -0.07  -0.04  -0.03     0.04  -0.05  -0.01
    14   1     0.02   0.01   0.00     0.01  -0.02  -0.02     0.02   0.04   0.02
    15   1    -0.02  -0.01  -0.02    -0.16  -0.08  -0.05     0.01  -0.02  -0.05
    16   1    -0.01  -0.00  -0.05    -0.15   0.05  -0.05     0.01   0.02  -0.04
    17   1     0.48  -0.17  -0.26    -0.33   0.07  -0.02     0.22  -0.08  -0.08
    18   1    -0.13  -0.15   0.20     0.20   0.11  -0.36    -0.03  -0.08   0.09
    19   1    -0.07   0.40  -0.35     0.20  -0.21   0.19    -0.01   0.15  -0.12
    20   1    -0.07  -0.23   0.16     0.06   0.26   0.14     0.14   0.50  -0.09
    21   1    -0.00   0.07  -0.07    -0.29  -0.07   0.31    -0.21  -0.17   0.36
    22   1    -0.19   0.14   0.24    -0.10  -0.14  -0.12     0.20  -0.33  -0.40
    23   1    -0.03   0.03   0.11    -0.02  -0.04  -0.01    -0.06   0.10   0.18
    24   1     0.04  -0.01  -0.04     0.09   0.01   0.03    -0.01  -0.01  -0.10
    25   1     0.06   0.01   0.00     0.16   0.05   0.03    -0.02  -0.02  -0.02
    26   1     0.06  -0.02   0.00     0.14  -0.03   0.05    -0.00  -0.02  -0.03
    27   1     0.07   0.03  -0.00     0.16   0.05   0.03     0.01   0.02  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    277.1663               307.8571               346.9303
 Red. masses --      1.9857                 1.8985                 2.2429
 Frc consts  --      0.0899                 0.1060                 0.1591
 IR Inten    --      0.1475                 0.3473                 0.0451
 RamAct Fr= 1--      1.7803                 1.1333                 1.0009
  Dep-P Fr= 1--      0.2429                 0.3697                 0.3650
  Dep-U Fr= 1--      0.3908                 0.5399                 0.5348
 Alpha2 Fr= 1--      0.0215                 0.0093                 0.0084
 Beta2  Fr= 1--      0.1160                 0.1020                 0.0892
 AlphaG Fr= 1--      0.0034                 0.0433                -0.0443
 Gamma2 Fr= 1--      1.1327                -0.5176                -0.1559
 Delta2 Fr= 1--      0.0483                 0.1008                -0.0245
 Raman1 Fr= 1--       7.121                  4.533                  4.004
 ROA1   Fr= 1--     110.288                -46.462                -15.750
 CID1   Fr= 1--      15.487                -10.250                 -3.934
 Raman2 Fr= 1--       1.392                  1.224                  1.071
 ROA2   Fr= 1--      26.799                -13.228                 -3.545
 CID2   Fr= 1--      19.257                -10.811                 -3.311
 Raman3 Fr= 1--       2.783                  2.447                  2.141
 ROA3   Fr= 1--     110.288                -46.462                -15.750
 CID3   Fr= 1--      39.625                -18.986                 -7.356
 RC180  Fr= 1--      -0.218                  0.080                  0.070
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.00  -0.08     0.09  -0.04  -0.04    -0.14  -0.02  -0.03
     2   6    -0.01   0.00  -0.05     0.01  -0.03  -0.01    -0.04  -0.04  -0.06
     3   6     0.03   0.03  -0.01    -0.02  -0.04   0.02    -0.01  -0.08  -0.04
     4   6     0.00   0.06   0.10    -0.08   0.05   0.14    -0.03  -0.03   0.03
     5   6    -0.02  -0.03   0.02    -0.03   0.05   0.01     0.00  -0.01   0.01
     6   6    -0.03  -0.03   0.02    -0.04   0.05   0.01     0.01   0.01   0.02
     7   8    -0.00  -0.02   0.00    -0.06  -0.01  -0.03     0.02   0.01  -0.01
     8   6    -0.07   0.04   0.07     0.06   0.00  -0.08    -0.03   0.21   0.03
     9   6    -0.02  -0.01  -0.06     0.04  -0.01   0.04     0.13  -0.02   0.01
    10   6     0.16   0.01   0.02    -0.07  -0.04  -0.00     0.05  -0.07   0.01
    11   6    -0.10  -0.04  -0.03     0.06   0.02  -0.02     0.03  -0.00   0.00
    12   1    -0.06  -0.06  -0.23     0.08   0.01   0.17     0.22  -0.11   0.22
    13   1    -0.17   0.01   0.04     0.15   0.03  -0.04     0.28   0.15  -0.09
    14   1     0.09  -0.02  -0.03     0.04  -0.03   0.01     0.03  -0.13  -0.06
    15   1     0.25   0.14   0.14    -0.13  -0.13  -0.08     0.07  -0.07  -0.03
    16   1     0.29  -0.15  -0.00    -0.17   0.06   0.02    -0.01  -0.08   0.08
    17   1    -0.23   0.06  -0.06    -0.12   0.01  -0.02    -0.10  -0.02  -0.02
    18   1     0.22   0.08  -0.36     0.22   0.00  -0.27    -0.21   0.03   0.12
    19   1     0.24  -0.15   0.14     0.25  -0.15   0.14    -0.27  -0.04  -0.15
    20   1     0.01  -0.01   0.17    -0.08  -0.24  -0.14     0.08   0.31   0.12
    21   1    -0.13   0.06   0.06     0.23   0.11  -0.34    -0.27   0.37  -0.05
    22   1    -0.16   0.08   0.11     0.09   0.17   0.14     0.11   0.27   0.14
    23   1     0.01   0.10   0.24    -0.18   0.14   0.32    -0.06  -0.00   0.09
    24   1    -0.01  -0.06  -0.10     0.04  -0.02  -0.17     0.05  -0.03  -0.04
    25   1    -0.16  -0.09  -0.03     0.06  -0.00  -0.02     0.02  -0.01  -0.00
    26   1    -0.10   0.03  -0.09     0.07  -0.06  -0.03     0.03  -0.03  -0.01
    27   1    -0.12  -0.04  -0.04     0.12   0.09  -0.04     0.05   0.02  -0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    373.1294               442.9297               469.9913
 Red. masses --      2.2187                 2.4928                 2.8109
 Frc consts  --      0.1820                 0.2881                 0.3658
 IR Inten    --      0.0703                 0.2444                 1.8502
 RamAct Fr= 1--      0.6242                 2.1142                 0.2504
  Dep-P Fr= 1--      0.5138                 0.4304                 0.3260
  Dep-U Fr= 1--      0.6788                 0.6018                 0.4917
 Alpha2 Fr= 1--      0.0029                 0.0140                 0.0024
 Beta2  Fr= 1--      0.0706                 0.2120                 0.0205
 AlphaG Fr= 1--      0.0043                 0.0458                -0.0180
 Gamma2 Fr= 1--     -0.1508                -0.2865                 0.2588
 Delta2 Fr= 1--     -0.1629                -0.2724                -0.0272
 Raman1 Fr= 1--       2.497                  8.457                  1.001
 ROA1   Fr= 1--     -19.690                -36.216                 23.976
 CID1   Fr= 1--      -7.886                 -4.282                 23.942
 Raman2 Fr= 1--       0.847                  2.545                  0.246
 ROA2   Fr= 1--      -2.316                 -4.696                  6.429
 CID2   Fr= 1--      -2.732                 -1.845                 26.113
 Raman3 Fr= 1--       1.695                  5.089                  0.492
 ROA3   Fr= 1--     -19.690                -36.216                 23.976
 CID3   Fr= 1--     -11.617                 -7.116                 48.690
 RC180  Fr= 1--       0.358                  0.204                 -0.017
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.15  -0.08    -0.04   0.06   0.06    -0.03  -0.03  -0.02
     2   6     0.05  -0.05   0.12     0.16   0.05  -0.08     0.05  -0.03  -0.04
     3   6     0.00  -0.00   0.06     0.06  -0.10  -0.07     0.07  -0.06   0.00
     4   6     0.00  -0.01  -0.03    -0.02  -0.05   0.06     0.04   0.16  -0.05
     5   6    -0.00   0.01  -0.01    -0.01  -0.02   0.03     0.06   0.18  -0.05
     6   6    -0.01   0.01  -0.02    -0.08   0.07   0.03     0.11  -0.02   0.06
     7   8    -0.04  -0.01  -0.00    -0.09  -0.01  -0.05     0.04  -0.13   0.05
     8   6     0.13   0.04   0.05     0.08  -0.05   0.09     0.03  -0.00   0.04
     9   6    -0.05  -0.15  -0.00    -0.03   0.09  -0.08    -0.04   0.02   0.01
    10   6     0.01  -0.04  -0.05    -0.02  -0.05  -0.01    -0.10  -0.05   0.02
    11   6    -0.00   0.01   0.00     0.04   0.04  -0.02    -0.12  -0.01  -0.03
    12   1    -0.11  -0.12  -0.16    -0.13   0.27  -0.21    -0.06   0.11   0.04
    13   1    -0.14  -0.32   0.07    -0.15  -0.03   0.00    -0.02   0.00  -0.00
    14   1    -0.07   0.08   0.10     0.10  -0.12  -0.09     0.06  -0.14  -0.01
    15   1     0.02  -0.03  -0.06    -0.04  -0.04   0.13    -0.26  -0.24  -0.00
    16   1     0.05  -0.02  -0.11     0.02  -0.11  -0.00    -0.19   0.15  -0.02
    17   1    -0.33   0.02  -0.32    -0.05   0.15   0.19    -0.06  -0.01   0.00
    18   1     0.04   0.49  -0.13    -0.13   0.15   0.26    -0.05   0.03   0.04
    19   1    -0.05   0.19  -0.07    -0.25  -0.13  -0.08    -0.11  -0.10  -0.07
    20   1     0.08   0.06  -0.01     0.20  -0.11   0.25     0.11  -0.01   0.14
    21   1     0.12   0.12  -0.05     0.04  -0.12   0.21    -0.06   0.03   0.05
    22   1     0.28   0.08   0.13    -0.15  -0.06   0.04    -0.02   0.02   0.07
    23   1     0.00  -0.03  -0.09    -0.08   0.03   0.25    -0.14   0.20  -0.06
    24   1    -0.01   0.03   0.05     0.11  -0.10  -0.14    -0.08   0.17  -0.14
    25   1     0.02   0.04   0.00     0.06  -0.02  -0.03    -0.32  -0.19  -0.02
    26   1    -0.00   0.00   0.02     0.07  -0.10  -0.04    -0.14   0.35  -0.20
    27   1    -0.01   0.00   0.01     0.15   0.16  -0.07    -0.29  -0.14  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    529.8795               571.1037               592.5872
 Red. masses --      3.4216                 2.8922                 2.7614
 Frc consts  --      0.5660                 0.5558                 0.5713
 IR Inten    --      7.5931                11.4302                 0.7370
 RamAct Fr= 1--      1.6267                 8.4103                 0.9426
  Dep-P Fr= 1--      0.4028                 0.0678                 0.0532
  Dep-U Fr= 1--      0.5743                 0.1270                 0.1011
 Alpha2 Fr= 1--      0.0119                 0.1592                 0.0185
 Beta2  Fr= 1--      0.1557                 0.1780                 0.0159
 AlphaG Fr= 1--      0.0076                 0.2052                -0.1426
 Gamma2 Fr= 1--      0.4355                -0.1566                -0.3501
 Delta2 Fr= 1--      0.1913                -0.0356                 0.1544
 Raman1 Fr= 1--       6.507                 33.641                  3.770
 ROA1   Fr= 1--      47.928                -16.173                -28.666
 CID1   Fr= 1--       7.366                 -0.481                 -7.603
 Raman2 Fr= 1--       1.868                  2.136                  0.191
 ROA2   Fr= 1--       8.922                 -3.474                 -9.637
 CID2   Fr= 1--       4.775                 -1.626                -50.576
 Raman3 Fr= 1--       3.737                  4.272                  0.381
 ROA3   Fr= 1--      47.928                -16.173                -28.666
 CID3   Fr= 1--      12.826                 -3.786                -75.219
 RC180  Fr= 1--       0.149                 -0.746                 -0.798
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.05   0.04    -0.04  -0.10  -0.07    -0.04  -0.10  -0.07
     2   6     0.02   0.02   0.04     0.06  -0.06  -0.06    -0.02  -0.06   0.01
     3   6    -0.14  -0.02  -0.11     0.08   0.02   0.02     0.09   0.07   0.01
     4   6    -0.13   0.05  -0.08     0.02   0.14   0.01     0.12  -0.01  -0.09
     5   6    -0.10   0.04  -0.05    -0.11  -0.01   0.01     0.03  -0.08  -0.05
     6   6    -0.01  -0.02   0.20    -0.08  -0.10  -0.13    -0.11   0.09   0.20
     7   8     0.23   0.08  -0.03     0.05   0.16  -0.00    -0.03  -0.01  -0.09
     8   6     0.05  -0.02  -0.00     0.07  -0.01   0.05     0.00   0.00   0.01
     9   6     0.00  -0.01  -0.00    -0.02   0.03   0.03    -0.03  -0.01   0.08
    10   6    -0.00  -0.03  -0.00    -0.02   0.03   0.04    -0.00   0.10   0.05
    11   6     0.01  -0.14   0.05     0.00  -0.13   0.04    -0.01   0.03   0.01
    12   1    -0.03   0.03  -0.06    -0.07   0.09  -0.04    -0.04  -0.05  -0.01
    13   1    -0.04  -0.07   0.03    -0.09   0.05   0.08    -0.09   0.03   0.12
    14   1    -0.26  -0.00  -0.07     0.10  -0.05   0.00     0.01   0.05   0.03
    15   1     0.14   0.15   0.06    -0.18  -0.17  -0.03    -0.13  -0.07  -0.08
    16   1     0.07  -0.26   0.09    -0.12   0.24   0.00    -0.11   0.30   0.02
    17   1    -0.01   0.05   0.03    -0.08  -0.08  -0.05    -0.05  -0.15  -0.13
    18   1     0.01   0.09   0.07    -0.06  -0.03  -0.01    -0.02  -0.09  -0.10
    19   1    -0.02   0.04   0.01    -0.12  -0.18  -0.12    -0.01  -0.05  -0.05
    20   1    -0.03  -0.03  -0.08     0.18  -0.01   0.16     0.04   0.05   0.04
    21   1     0.14  -0.05  -0.02    -0.05   0.04   0.04    -0.09   0.07  -0.03
    22   1     0.08  -0.04  -0.02     0.05   0.02   0.09     0.08   0.03   0.06
    23   1    -0.25   0.16   0.17     0.09   0.10  -0.07     0.22  -0.00   0.01
    24   1    -0.14  -0.06  -0.36    -0.32   0.04   0.08     0.06  -0.13  -0.18
    25   1    -0.07  -0.40   0.03     0.21   0.21   0.05    -0.05  -0.37  -0.03
    26   1     0.05  -0.22  -0.10    -0.01  -0.36   0.29     0.07  -0.18  -0.20
    27   1     0.14   0.07  -0.10     0.05  -0.19   0.18     0.24   0.40  -0.24
                     19                     20                     21
                      A                      A                      A
 Frequencies --    642.8687               734.4497               804.5644
 Red. masses --      3.0557                 1.4617                 2.3306
 Frc consts  --      0.7441                 0.4646                 0.8889
 IR Inten    --      4.5884                 1.7872                 1.0794
 RamAct Fr= 1--     10.0271                 4.4707                 8.1585
  Dep-P Fr= 1--      0.1261                 0.0268                 0.0246
  Dep-U Fr= 1--      0.2239                 0.0523                 0.0481
 Alpha2 Fr= 1--      0.1646                 0.0933                 0.1711
 Beta2  Fr= 1--      0.3743                 0.0390                 0.0654
 AlphaG Fr= 1--      0.0625                -0.0377                -0.3267
 Gamma2 Fr= 1--      1.1895                -0.4995                 0.3761
 Delta2 Fr= 1--      0.9219                -0.0221                -0.7198
 Raman1 Fr= 1--      40.108                 17.883                 32.634
 ROA1   Fr= 1--     143.691                -48.664                 13.074
 CID1   Fr= 1--       3.583                 -2.721                  0.401
 Raman2 Fr= 1--       4.491                  0.467                  0.785
 ROA2   Fr= 1--      21.172                -11.812                 14.785
 CID2   Fr= 1--       4.714                -25.271                 18.836
 Raman3 Fr= 1--       8.982                  0.935                  1.570
 ROA3   Fr= 1--     143.691                -48.664                 13.074
 CID3   Fr= 1--      15.997                -52.056                  8.328
 RC180  Fr= 1--      -0.552                 -0.895                 -0.904
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.15   0.10    -0.02  -0.05  -0.03     0.00  -0.02  -0.04
     2   6    -0.05   0.08   0.02    -0.01  -0.01   0.02     0.05   0.04  -0.08
     3   6     0.15  -0.10   0.12    -0.01   0.05   0.09    -0.07  -0.00   0.21
     4   6     0.08   0.07  -0.05     0.02   0.02  -0.00    -0.13  -0.07   0.06
     5   6    -0.00   0.01  -0.04     0.02  -0.00  -0.02     0.02   0.02  -0.12
     6   6    -0.10   0.00   0.03    -0.02   0.01   0.02     0.01   0.04   0.03
     7   8    -0.01   0.06  -0.04    -0.01   0.01  -0.01     0.01   0.01  -0.01
     8   6    -0.14   0.04  -0.06     0.05  -0.01   0.03     0.03   0.01  -0.01
     9   6     0.01  -0.07  -0.08    -0.05   0.07  -0.08     0.03   0.01  -0.02
    10   6     0.02  -0.15  -0.00    -0.05  -0.06  -0.03     0.07   0.02  -0.03
    11   6    -0.03  -0.07   0.03    -0.01  -0.01   0.01    -0.00  -0.04   0.06
    12   1     0.08  -0.13   0.10     0.06   0.17   0.41     0.00  -0.01  -0.16
    13   1     0.14  -0.03  -0.17     0.34   0.10  -0.36    -0.08   0.07   0.06
    14   1     0.14  -0.23   0.09    -0.04   0.14   0.12     0.03   0.00   0.18
    15   1    -0.20  -0.38   0.04     0.06   0.19   0.37     0.06  -0.06  -0.29
    16   1    -0.01   0.13  -0.17     0.28  -0.33  -0.19    -0.03   0.25  -0.08
    17   1     0.10   0.14   0.10    -0.03  -0.09  -0.09     0.02   0.09   0.12
    18   1     0.08   0.07   0.03    -0.00  -0.04  -0.07    -0.04  -0.07   0.02
    19   1     0.14   0.22   0.16     0.01   0.01  -0.01    -0.08  -0.19  -0.07
    20   1    -0.17  -0.01  -0.07     0.07  -0.02   0.06     0.14  -0.07   0.13
    21   1    -0.07  -0.03  -0.01     0.04  -0.02   0.04    -0.01  -0.03   0.06
    22   1    -0.25   0.01  -0.11     0.04  -0.01   0.04    -0.16   0.03  -0.02
    23   1     0.03   0.05  -0.12     0.06  -0.02  -0.10    -0.18  -0.20  -0.39
    24   1    -0.14   0.03  -0.04    -0.01   0.03   0.06    -0.00   0.18   0.34
    25   1     0.04  -0.12   0.01    -0.01  -0.07   0.00    -0.10  -0.30   0.03
    26   1     0.01  -0.27   0.04     0.00  -0.06  -0.02     0.02  -0.01  -0.10
    27   1     0.11   0.08  -0.03     0.03   0.04  -0.03     0.00   0.06  -0.09
                     22                     23                     24
                      A                      A                      A
 Frequencies --    818.7282               859.2869               892.4254
 Red. masses --      3.4602                 2.4072                 1.8324
 Frc consts  --      1.3666                 1.0472                 0.8598
 IR Inten    --      2.8623                 2.7187                 0.2732
 RamAct Fr= 1--      9.8983                22.2970                 5.8357
  Dep-P Fr= 1--      0.6409                 0.6748                 0.5193
  Dep-U Fr= 1--      0.7812                 0.8058                 0.6836
 Alpha2 Fr= 1--      0.0195                 0.0297                 0.0263
 Beta2  Fr= 1--      1.2887                 2.9947                 0.6649
 AlphaG Fr= 1--     -0.0161                 0.1197                 0.2350
 Gamma2 Fr= 1--     -2.1747                 5.4665                -2.6990
 Delta2 Fr= 1--     -0.0239                 0.2854                -1.1745
 Raman1 Fr= 1--      39.593                 89.188                 23.343
 ROA1   Fr= 1--    -209.541                533.917               -296.692
 CID1   Fr= 1--      -5.292                  5.986                -12.710
 Raman2 Fr= 1--      15.465                 35.936                  7.979
 ROA2   Fr= 1--     -52.002                128.912                -55.380
 CID2   Fr= 1--      -3.363                  3.587                 -6.941
 Raman3 Fr= 1--      30.929                 71.872                 15.958
 ROA3   Fr= 1--    -209.541                533.917               -296.692
 CID3   Fr= 1--      -6.775                  7.429                -18.592
 RC180  Fr= 1--       0.562                  0.612                  0.367
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.01    -0.06  -0.05   0.02     0.01   0.01  -0.02
     2   6     0.03   0.01  -0.04    -0.12   0.00   0.11     0.02   0.03  -0.05
     3   6    -0.02   0.04   0.07     0.06  -0.10   0.02     0.02  -0.03   0.09
     4   6    -0.04   0.09  -0.02    -0.07  -0.06  -0.03    -0.03  -0.07  -0.10
     5   6    -0.19  -0.16  -0.03    -0.04   0.02   0.02    -0.05   0.04   0.08
     6   6     0.01  -0.13   0.06     0.01  -0.01   0.00     0.01  -0.00   0.00
     7   8     0.09  -0.08   0.05     0.02  -0.01   0.01     0.01  -0.00   0.01
     8   6     0.01   0.00  -0.01     0.06  -0.02   0.08     0.03   0.01  -0.03
     9   6     0.01  -0.01  -0.04     0.02   0.15  -0.14    -0.07  -0.09   0.02
    10   6     0.02  -0.07   0.03     0.09   0.06  -0.01     0.02   0.13   0.01
    11   6     0.05   0.28  -0.08     0.02   0.01  -0.01     0.02  -0.01  -0.03
    12   1     0.02  -0.01   0.00     0.05   0.04  -0.18     0.07  -0.25   0.29
    13   1     0.02   0.04  -0.04    -0.05   0.30  -0.09     0.20  -0.01  -0.17
    14   1    -0.08  -0.04   0.07     0.01  -0.22   0.01    -0.10  -0.15   0.10
    15   1    -0.09  -0.20   0.02    -0.13  -0.21  -0.07    -0.02   0.10   0.05
    16   1    -0.01   0.07  -0.05    -0.05   0.35  -0.07     0.18   0.22  -0.22
    17   1     0.01   0.05   0.05    -0.02  -0.25  -0.26     0.01   0.08   0.09
    18   1    -0.01   0.01   0.03     0.04  -0.07  -0.18    -0.02  -0.02   0.03
    19   1    -0.03  -0.05  -0.02     0.15   0.29   0.12    -0.05  -0.11  -0.04
    20   1     0.06  -0.04   0.06    -0.09   0.03  -0.10     0.16  -0.10   0.15
    21   1    -0.00  -0.02   0.03     0.18  -0.04   0.03    -0.02  -0.04   0.09
    22   1    -0.08   0.01  -0.02     0.24  -0.07   0.06    -0.23   0.04  -0.04
    23   1     0.13   0.02  -0.10    -0.21  -0.01   0.05    -0.19   0.08   0.26
    24   1    -0.54  -0.09   0.03    -0.01  -0.04  -0.14     0.09  -0.15  -0.41
    25   1     0.12   0.27  -0.09    -0.00   0.05  -0.00     0.01   0.14  -0.00
    26   1     0.07   0.25  -0.11     0.01   0.06   0.00    -0.01   0.07   0.05
    27   1     0.15   0.38  -0.11    -0.02  -0.04   0.02    -0.06  -0.13   0.07
                     25                     26                     27
                      A                      A                      A
 Frequencies --    909.0954               941.9946               956.7925
 Red. masses --      2.1648                 2.2409                 1.5722
 Frc consts  --      1.0541                 1.1716                 0.8480
 IR Inten    --      0.8039                 4.1175                 0.4144
 RamAct Fr= 1--      5.3700                15.5181                 4.1878
  Dep-P Fr= 1--      0.6626                 0.3298                 0.5013
  Dep-U Fr= 1--      0.7971                 0.4960                 0.6678
 Alpha2 Fr= 1--      0.0084                 0.1453                 0.0206
 Beta2  Fr= 1--      0.7134                 1.2828                 0.4661
 AlphaG Fr= 1--      0.1872                 0.4001                 0.0076
 Gamma2 Fr= 1--      1.0129                -1.0543                 1.1263
 Delta2 Fr= 1--     -0.6316                -1.4282                 0.1399
 Raman1 Fr= 1--      21.480                 62.073                 16.751
 ROA1   Fr= 1--      77.024               -146.916                112.600
 CID1   Fr= 1--       3.586                 -2.367                  6.722
 Raman2 Fr= 1--       8.561                 15.394                  5.593
 ROA2   Fr= 1--      29.362                -13.879                 25.912
 CID2   Fr= 1--       3.430                 -0.902                  4.633
 Raman3 Fr= 1--      17.121                 30.788                 11.186
 ROA3   Fr= 1--      77.024               -146.916                112.600
 CID3   Fr= 1--       4.499                 -4.772                 10.066
 RC180  Fr= 1--       0.594                 -0.008                  0.336
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.05   0.03    -0.05   0.02  -0.02    -0.05   0.11   0.02
     2   6    -0.06  -0.01  -0.03    -0.06   0.07  -0.06    -0.06  -0.04  -0.06
     3   6     0.05  -0.08  -0.13    -0.08   0.10  -0.01    -0.01   0.01  -0.00
     4   6    -0.05   0.04   0.11     0.03   0.01  -0.01     0.01   0.00  -0.01
     5   6     0.01  -0.03  -0.09     0.02  -0.01   0.02     0.00   0.00   0.01
     6   6    -0.00  -0.01   0.00     0.01   0.03  -0.01    -0.00   0.00   0.00
     7   8     0.01  -0.00   0.00    -0.02   0.01  -0.01    -0.00  -0.00  -0.00
     8   6     0.06  -0.02   0.03     0.12   0.01   0.04     0.07  -0.09  -0.01
     9   6    -0.07  -0.09   0.01     0.05  -0.10  -0.14    -0.05   0.03   0.07
    10   6    -0.03   0.16   0.03    -0.05  -0.05   0.15     0.04  -0.06  -0.06
    11   6    -0.00   0.02   0.02     0.01  -0.03   0.01    -0.00  -0.00  -0.00
    12   1     0.08  -0.31   0.25     0.17  -0.48  -0.20    -0.05   0.06   0.10
    13   1     0.18  -0.02  -0.18    -0.00   0.13  -0.10    -0.06   0.17   0.08
    14   1     0.29  -0.32  -0.24    -0.12   0.05  -0.01    -0.01   0.06   0.01
    15   1    -0.03   0.20   0.18    -0.16  -0.18   0.12     0.09  -0.05  -0.19
    16   1     0.12   0.06  -0.05    -0.26   0.01   0.34     0.01  -0.02  -0.05
    17   1     0.04   0.06   0.05     0.10   0.05   0.06     0.25   0.19   0.21
    18   1     0.01   0.00   0.01    -0.03  -0.22  -0.15    -0.04  -0.35  -0.19
    19   1     0.04   0.07   0.06     0.09   0.06   0.09     0.21   0.15   0.25
    20   1     0.06  -0.01   0.03     0.15  -0.10   0.11     0.32   0.06   0.21
    21   1     0.04  -0.01   0.02     0.19  -0.10   0.15    -0.33   0.16  -0.12
    22   1     0.09  -0.02   0.05    -0.09  -0.02  -0.04     0.21   0.07   0.22
    23   1     0.00  -0.11  -0.29     0.16   0.01   0.07     0.02   0.01   0.03
    24   1    -0.14   0.14   0.34     0.11  -0.03  -0.01     0.02  -0.02  -0.04
    25   1    -0.01  -0.11   0.00    -0.04  -0.05   0.02     0.01   0.02  -0.00
    26   1     0.02  -0.02  -0.06    -0.00   0.03  -0.01    -0.00  -0.01   0.01
    27   1     0.05   0.13  -0.07    -0.04  -0.07   0.01     0.00  -0.01   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    981.5139               989.2125              1009.5456
 Red. masses --      1.8160                 1.5828                 1.4932
 Frc consts  --      1.0307                 0.9126                 0.8966
 IR Inten    --      0.0096                 3.7364                19.0275
 RamAct Fr= 1--      6.3372                11.2157                29.5550
  Dep-P Fr= 1--      0.2079                 0.4138                 0.3738
  Dep-U Fr= 1--      0.3442                 0.5854                 0.5442
 Alpha2 Fr= 1--      0.0843                 0.0790                 0.2398
 Beta2  Fr= 1--      0.3636                 1.0943                 2.6806
 AlphaG Fr= 1--     -0.0236                -0.0035                 0.1293
 Gamma2 Fr= 1--     -1.1776                -1.4123                 1.8449
 Delta2 Fr= 1--      0.3121                -0.0370                 0.5670
 Raman1 Fr= 1--      25.349                 44.863                118.220
 ROA1   Fr= 1--    -103.060               -136.765                195.253
 CID1   Fr= 1--      -4.066                 -3.049                  1.652
 Raman2 Fr= 1--       4.363                 13.132                 32.167
 ROA2   Fr= 1--     -30.758                -33.599                 39.741
 CID2   Fr= 1--      -7.050                 -2.559                  1.235
 Raman3 Fr= 1--       8.725                 26.263                 64.334
 ROA3   Fr= 1--    -103.060               -136.765                195.253
 CID3   Fr= 1--     -11.812                 -5.208                  3.035
 RC180  Fr= 1--      -0.312                  0.171                  0.088
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.03     0.06  -0.00   0.10     0.00   0.02  -0.06
     2   6    -0.06   0.07  -0.00     0.02  -0.09  -0.02    -0.01   0.03   0.00
     3   6    -0.03  -0.02  -0.04    -0.01   0.05  -0.05     0.02   0.02  -0.01
     4   6     0.04   0.03   0.00    -0.02  -0.00   0.01     0.01   0.02  -0.01
     5   6     0.03  -0.00  -0.00    -0.03  -0.03  -0.01    -0.07  -0.07   0.01
     6   6    -0.01  -0.01   0.00     0.02   0.03  -0.01     0.02   0.05  -0.01
     7   8    -0.00  -0.01   0.00    -0.02   0.02  -0.01    -0.03   0.04  -0.02
     8   6     0.07   0.08   0.06     0.00  -0.01  -0.06    -0.02  -0.00   0.06
     9   6    -0.10   0.00   0.11    -0.07   0.02  -0.01    -0.01  -0.01   0.02
    10   6     0.07  -0.09  -0.08     0.05  -0.03   0.02     0.02  -0.03  -0.01
    11   6    -0.03   0.01  -0.01     0.05  -0.03   0.03     0.11  -0.04   0.04
    12   1    -0.03  -0.10   0.26     0.02  -0.09   0.19    -0.04   0.11   0.07
    13   1    -0.05   0.33   0.08     0.01   0.39  -0.07     0.03  -0.14  -0.01
    14   1    -0.00  -0.06  -0.06    -0.08   0.10  -0.02     0.02  -0.13  -0.04
    15   1     0.14  -0.10  -0.37    -0.03  -0.16  -0.09    -0.08  -0.12   0.07
    16   1    -0.00  -0.02  -0.06    -0.06   0.13   0.03     0.09   0.07  -0.16
    17   1    -0.04  -0.01  -0.01    -0.17  -0.20  -0.24     0.07   0.17   0.18
    18   1    -0.02  -0.03  -0.01     0.13   0.43   0.14    -0.08  -0.15   0.02
    19   1    -0.04  -0.06  -0.04    -0.02   0.19  -0.04    -0.05  -0.19  -0.04
    20   1    -0.13  -0.16  -0.07     0.18  -0.07   0.15    -0.21   0.08  -0.18
    21   1     0.48  -0.24   0.26    -0.17   0.01   0.02     0.15  -0.00  -0.05
    22   1    -0.24  -0.08  -0.20    -0.19   0.05  -0.02     0.22  -0.07   0.02
    23   1     0.07   0.04   0.06     0.10  -0.02   0.04     0.14   0.00   0.04
    24   1     0.01   0.03   0.09     0.03  -0.01   0.08    -0.05  -0.07   0.02
    25   1     0.06   0.05  -0.02    -0.14  -0.15   0.04    -0.26  -0.24   0.08
    26   1    -0.02  -0.11   0.04     0.03   0.24  -0.09     0.06   0.47  -0.17
    27   1     0.05   0.06   0.00    -0.13  -0.15  -0.01    -0.23  -0.27  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1025.2014              1030.8106              1051.2846
 Red. masses --      1.1338                 1.5412                 1.8556
 Frc consts  --      0.7021                 0.9649                 1.2083
 IR Inten    --     29.8890                 0.9688                 0.6103
 RamAct Fr= 1--      2.6017                 4.5545                 1.0895
  Dep-P Fr= 1--      0.3687                 0.4728                 0.6113
  Dep-U Fr= 1--      0.5388                 0.6420                 0.7588
 Alpha2 Fr= 1--      0.0215                 0.0254                 0.0028
 Beta2  Fr= 1--      0.2336                 0.4874                 0.1378
 AlphaG Fr= 1--      0.5514                 0.0051                 0.0177
 Gamma2 Fr= 1--      1.2632                 1.9467                 0.2249
 Delta2 Fr= 1--      0.1288                 2.0853                -0.0220
 Raman1 Fr= 1--      10.407                 18.218                  4.358
 ROA1   Fr= 1--     125.384                253.615                 20.885
 CID1   Fr= 1--      12.048                 13.921                  4.792
 Raman2 Fr= 1--       2.803                  5.848                  1.653
 ROA2   Fr= 1--      29.286                 30.040                  5.573
 CID2   Fr= 1--      10.446                  5.136                  3.371
 Raman3 Fr= 1--       5.607                 11.697                  3.307
 ROA3   Fr= 1--     125.384                253.615                 20.885
 CID3   Fr= 1--      22.362                 21.683                  6.316
 RC180  Fr= 1--       0.078                  0.284                  0.518
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.00     0.10   0.04  -0.02     0.00   0.00   0.00
     2   6     0.00  -0.01  -0.00    -0.02  -0.05  -0.03    -0.00  -0.00  -0.00
     3   6    -0.01  -0.00   0.01    -0.08   0.03   0.01     0.00   0.00  -0.00
     4   6     0.03  -0.02  -0.06     0.02   0.00   0.00    -0.02   0.01   0.04
     5   6     0.02  -0.02  -0.05     0.05   0.02   0.02     0.01  -0.02  -0.06
     6   6    -0.01   0.01   0.03     0.00  -0.00  -0.00    -0.05   0.07   0.19
     7   8     0.00  -0.00  -0.01     0.01  -0.02   0.01     0.01  -0.01  -0.03
     8   6    -0.01  -0.01   0.00    -0.03  -0.06   0.07    -0.00   0.00   0.00
     9   6    -0.00   0.00  -0.02    -0.05   0.01  -0.06     0.00  -0.00   0.00
    10   6     0.00   0.02   0.01     0.04  -0.00   0.03    -0.00  -0.00   0.00
    11   6    -0.00  -0.01  -0.02    -0.05   0.00  -0.01     0.04  -0.05  -0.14
    12   1     0.01  -0.01   0.00     0.03  -0.09   0.08    -0.00   0.00  -0.00
    13   1     0.02  -0.00  -0.03     0.04   0.23  -0.12    -0.00   0.00   0.00
    14   1    -0.10  -0.07   0.02    -0.10  -0.14  -0.02     0.05   0.03  -0.01
    15   1    -0.01   0.00   0.00    -0.06  -0.13  -0.05     0.00  -0.00   0.00
    16   1     0.01   0.04  -0.01    -0.02   0.19  -0.04    -0.00  -0.01   0.01
    17   1    -0.00   0.02   0.02    -0.06   0.20   0.18    -0.00   0.00   0.00
    18   1    -0.01   0.00   0.02    -0.02   0.20   0.26     0.00   0.01   0.00
    19   1    -0.01  -0.02  -0.01    -0.18  -0.29  -0.18    -0.01  -0.01  -0.00
    20   1    -0.01   0.02  -0.01    -0.19   0.14  -0.18    -0.01  -0.00  -0.01
    21   1    -0.03   0.02  -0.03     0.01   0.08  -0.15     0.01  -0.00   0.00
    22   1     0.06  -0.00   0.03     0.40  -0.07   0.12     0.00  -0.00  -0.00
    23   1    -0.14   0.24   0.63     0.10  -0.03  -0.07     0.06  -0.11  -0.29
    24   1    -0.14   0.23   0.62     0.15  -0.04  -0.11    -0.00  -0.01  -0.02
    25   1     0.02   0.09  -0.01     0.11   0.08  -0.03     0.06   0.59  -0.05
    26   1    -0.02  -0.01   0.06    -0.03  -0.22   0.07    -0.08   0.12   0.29
    27   1    -0.01  -0.05   0.05     0.10   0.10   0.01    -0.14  -0.49   0.31
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1101.6406              1107.1323              1165.0677
 Red. masses --      1.8477                 1.3105                 1.7181
 Frc consts  --      1.3212                 0.9464                 1.3741
 IR Inten    --     20.0483                 8.8172                 3.0031
 RamAct Fr= 1--     65.4946                 4.4087                47.3126
  Dep-P Fr= 1--      0.2421                 0.6129                 0.4203
  Dep-U Fr= 1--      0.3898                 0.7600                 0.5918
 Alpha2 Fr= 1--      0.7935                 0.0111                 0.3255
 Beta2  Fr= 1--      4.2554                 0.5584                 4.6666
 AlphaG Fr= 1--      0.6824                 0.0797                 1.0514
 Gamma2 Fr= 1--      6.2977                 4.0235                 8.9796
 Delta2 Fr= 1--      2.0910                -0.6772                 1.6464
 Raman1 Fr= 1--     261.978                 17.635                189.250
 ROA1   Fr= 1--     671.490                364.589                914.729
 CID1   Fr= 1--       2.563                 20.675                  4.833
 Raman2 Fr= 1--      51.065                  6.701                 55.999
 ROA2   Fr= 1--     134.416                101.982                202.340
 CID2   Fr= 1--       2.632                 15.218                  3.613
 Raman3 Fr= 1--     102.129                 13.402                111.998
 ROA3   Fr= 1--     671.490                364.589                914.729
 CID3   Fr= 1--       6.575                 27.203                  8.167
 RC180  Fr= 1--      -0.220                  0.520                  0.184
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.04    -0.04  -0.01   0.02    -0.02  -0.02   0.07
     2   6     0.01   0.00   0.04     0.04   0.01  -0.00     0.03   0.02  -0.14
     3   6     0.13   0.09  -0.09    -0.08   0.06  -0.05     0.01   0.11   0.05
     4   6    -0.11  -0.10   0.00    -0.03   0.01   0.02    -0.02  -0.07  -0.05
     5   6    -0.01   0.05  -0.03     0.02   0.00  -0.00    -0.03   0.04  -0.00
     6   6     0.01  -0.01  -0.00     0.02   0.02  -0.00    -0.00  -0.00   0.01
     7   8     0.02  -0.02   0.01     0.00  -0.01   0.01     0.01  -0.00   0.00
     8   6    -0.02   0.01   0.01     0.00   0.01  -0.02    -0.02  -0.01   0.07
     9   6    -0.04  -0.02   0.03     0.01  -0.02   0.01    -0.00  -0.06   0.01
    10   6     0.06  -0.06   0.04     0.06  -0.02   0.04    -0.03  -0.03   0.03
    11   6    -0.03   0.01  -0.01    -0.04  -0.01  -0.01    -0.00   0.00  -0.00
    12   1    -0.00  -0.04   0.14    -0.11   0.40   0.10    -0.06   0.17   0.07
    13   1     0.02   0.01  -0.02     0.09  -0.34  -0.05    -0.01   0.07   0.02
    14   1     0.11   0.68   0.02    -0.19  -0.37  -0.10     0.67  -0.16  -0.19
    15   1    -0.25  -0.32   0.29    -0.15  -0.24   0.09     0.13   0.09  -0.15
    16   1     0.03   0.13  -0.06     0.15   0.30  -0.29     0.00  -0.06   0.02
    17   1     0.05   0.11   0.11     0.04  -0.10  -0.09    -0.01  -0.16  -0.16
    18   1    -0.05  -0.12  -0.00     0.02  -0.07  -0.12     0.09   0.10  -0.08
    19   1    -0.02  -0.12  -0.01     0.08   0.14   0.09     0.06   0.24   0.05
    20   1    -0.07   0.01  -0.04     0.04  -0.03   0.03    -0.16   0.09  -0.13
    21   1     0.03  -0.01   0.01    -0.01  -0.01   0.02     0.15   0.02  -0.08
    22   1    -0.01  -0.01  -0.02    -0.09   0.02  -0.03     0.22  -0.09   0.00
    23   1    -0.22  -0.06   0.04     0.18  -0.04   0.00    -0.15   0.00   0.08
    24   1     0.02   0.08   0.08     0.18  -0.01   0.06    -0.06   0.02  -0.07
    25   1     0.06   0.04  -0.02     0.06   0.03  -0.02     0.01   0.02  -0.00
    26   1    -0.01  -0.12   0.03    -0.02  -0.14   0.05    -0.00  -0.02   0.01
    27   1     0.05   0.07  -0.00     0.05   0.04   0.02     0.01   0.01   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1200.9199              1226.9958              1244.1068
 Red. masses --      1.6998                 1.4768                 1.9045
 Frc consts  --      1.4443                 1.3099                 1.7367
 IR Inten    --      3.1661                 8.7545                 2.7028
 RamAct Fr= 1--      4.4098                11.2502                 9.2765
  Dep-P Fr= 1--      0.7403                 0.5873                 0.2834
  Dep-U Fr= 1--      0.8508                 0.7400                 0.4417
 Alpha2 Fr= 1--      0.0007                 0.0342                 0.0999
 Beta2  Fr= 1--      0.6253                 1.3875                 0.6829
 AlphaG Fr= 1--     -0.0057                 0.0561                 0.0951
 Gamma2 Fr= 1--      1.1576                 2.5842                 0.4452
 Delta2 Fr= 1--      0.8305                 0.4187                 0.3564
 Raman1 Fr= 1--      17.639                 45.001                 37.106
 ROA1   Fr= 1--     137.706                261.486                 54.141
 CID1   Fr= 1--       7.807                  5.811                  1.459
 Raman2 Fr= 1--       7.503                 16.651                  8.194
 ROA2   Fr= 1--      21.139                 58.672                  7.833
 CID2   Fr= 1--       2.817                  3.524                  0.956
 Raman3 Fr= 1--      15.007                 33.301                 16.389
 ROA3   Fr= 1--     137.706                261.486                 54.141
 CID3   Fr= 1--       9.176                  7.852                  3.303
 RC180  Fr= 1--       0.702                  0.480                 -0.117
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.02   0.01     0.03   0.02  -0.05     0.01  -0.07  -0.00
     2   6     0.15  -0.02  -0.05    -0.07  -0.03   0.11     0.03   0.21   0.04
     3   6     0.02  -0.08  -0.01     0.02   0.03  -0.01     0.01  -0.01  -0.03
     4   6     0.01   0.03   0.03     0.00  -0.01  -0.01    -0.01   0.00   0.00
     5   6     0.01  -0.01   0.00     0.00   0.01  -0.00     0.00   0.01  -0.00
     6   6    -0.01  -0.01  -0.00    -0.03  -0.03   0.00    -0.02  -0.02   0.00
     7   8    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     8   6    -0.06   0.02   0.05     0.03   0.01  -0.04    -0.01  -0.09  -0.02
     9   6    -0.06  -0.05  -0.06    -0.02  -0.05  -0.09    -0.08   0.07   0.01
    10   6     0.01   0.04   0.08     0.02   0.01   0.07     0.03  -0.06   0.05
    11   6     0.01   0.00   0.00     0.01   0.01   0.00     0.01   0.00   0.00
    12   1    -0.05   0.14   0.18    -0.14   0.55   0.19     0.09  -0.37   0.10
    13   1     0.09   0.10  -0.16     0.08  -0.08  -0.16     0.16  -0.48  -0.18
    14   1    -0.42   0.35   0.19     0.25  -0.08  -0.09     0.04   0.02  -0.03
    15   1     0.19   0.12  -0.37     0.21   0.08  -0.38     0.16  -0.04  -0.36
    16   1    -0.07   0.09   0.14    -0.19  -0.00   0.31    -0.06   0.01   0.09
    17   1     0.15  -0.03  -0.01    -0.02   0.14   0.12    -0.13  -0.16  -0.16
    18   1     0.00  -0.15  -0.18    -0.07  -0.05   0.11     0.03   0.03  -0.02
    19   1     0.13   0.14   0.15    -0.04  -0.17  -0.05    -0.10  -0.05  -0.12
    20   1    -0.25   0.07  -0.18     0.10  -0.07   0.09     0.13   0.17   0.05
    21   1     0.11   0.02  -0.07    -0.07  -0.03   0.09    -0.22   0.11  -0.15
    22   1     0.08  -0.08  -0.06    -0.15   0.06  -0.01     0.17   0.07   0.19
    23   1    -0.02   0.00  -0.07    -0.05   0.01   0.01     0.04  -0.01   0.00
    24   1     0.00  -0.01   0.01     0.01   0.01  -0.01     0.06   0.01   0.02
    25   1    -0.01  -0.01   0.00    -0.02   0.01   0.01    -0.01   0.01   0.00
    26   1     0.00   0.02  -0.01     0.01   0.06  -0.02     0.00   0.04  -0.01
    27   1    -0.01  -0.00  -0.01    -0.01   0.00  -0.02    -0.00   0.01  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1269.7344              1277.9738              1286.1527
 Red. masses --      1.6016                 2.9338                 1.6943
 Frc consts  --      1.5214                 2.8231                 1.6513
 IR Inten    --     40.6148               112.5049                11.6195
 RamAct Fr= 1--     52.7798                 8.0153                 3.8665
  Dep-P Fr= 1--      0.2362                 0.2922                 0.6508
  Dep-U Fr= 1--      0.3822                 0.4522                 0.7885
 Alpha2 Fr= 1--      0.6500                 0.0841                 0.0069
 Beta2  Fr= 1--      3.3617                 0.6041                 0.5081
 AlphaG Fr= 1--      0.1935                -0.0321                 0.0054
 Gamma2 Fr= 1--     10.3191                -1.3536                 0.0071
 Delta2 Fr= 1--      5.7286                -0.4816                -1.1065
 Raman1 Fr= 1--     211.119                 32.061                 15.466
 ROA1   Fr= 1--    1173.949               -145.359                -34.729
 CID1   Fr= 1--       5.561                 -4.534                 -2.246
 Raman2 Fr= 1--      40.340                  7.249                  6.097
 ROA2   Fr= 1--     201.830                -28.635                  9.021
 CID2   Fr= 1--       5.003                 -3.950                  1.480
 Raman3 Fr= 1--      80.680                 14.499                 12.194
 ROA3   Fr= 1--    1173.949               -145.359                -34.729
 CID3   Fr= 1--      14.551                -10.026                 -2.848
 RC180  Fr= 1--      -0.236                 -0.096                  0.577
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.00    -0.00   0.01  -0.03    -0.04   0.04  -0.02
     2   6     0.08  -0.04   0.02     0.03  -0.01   0.08     0.10  -0.11   0.06
     3   6    -0.05   0.02   0.03     0.11   0.02   0.00     0.02   0.05   0.02
     4   6     0.03  -0.02   0.00    -0.07   0.03  -0.02    -0.05   0.02  -0.03
     5   6    -0.01  -0.02   0.01    -0.16  -0.08  -0.02    -0.03   0.04  -0.02
     6   6     0.08   0.07  -0.01     0.22   0.21  -0.02    -0.07  -0.07   0.01
     7   8    -0.02  -0.01  -0.00    -0.00  -0.05   0.02     0.03  -0.00   0.01
     8   6    -0.02   0.01  -0.00    -0.01  -0.00  -0.02    -0.03   0.04  -0.01
     9   6    -0.07   0.04   0.00     0.01   0.01  -0.02    -0.04   0.08  -0.00
    10   6     0.10   0.04  -0.09    -0.09  -0.04   0.05    -0.02  -0.03  -0.02
    11   6    -0.02  -0.01  -0.00    -0.09  -0.02  -0.01     0.01   0.00   0.00
    12   1     0.01  -0.11   0.11     0.06  -0.14  -0.05     0.11  -0.38  -0.07
    13   1     0.13  -0.21  -0.15    -0.08   0.23   0.05     0.04  -0.04  -0.06
    14   1     0.15  -0.17  -0.06     0.01  -0.19  -0.01     0.19  -0.29  -0.09
    15   1    -0.17  -0.17   0.23     0.26   0.24  -0.32     0.08   0.08  -0.02
    16   1    -0.36  -0.17   0.55     0.13  -0.05  -0.19    -0.08  -0.02   0.05
    17   1     0.08  -0.01  -0.01     0.02   0.04   0.04     0.14   0.04   0.04
    18   1    -0.02  -0.09  -0.07    -0.04  -0.08   0.01    -0.05  -0.15  -0.06
    19   1     0.05  -0.00   0.07    -0.01  -0.10   0.00     0.08  -0.06   0.11
    20   1    -0.05  -0.01  -0.03    -0.00   0.00  -0.00    -0.08  -0.06  -0.03
    21   1     0.01   0.00  -0.01    -0.07   0.01   0.00     0.02  -0.02   0.03
    22   1    -0.03  -0.02  -0.04    -0.05   0.02   0.01    -0.08  -0.02  -0.09
    23   1    -0.07  -0.00  -0.02     0.28  -0.02   0.07     0.20  -0.01   0.06
    24   1    -0.36  -0.01  -0.11     0.03  -0.09   0.04     0.64  -0.01   0.16
    25   1     0.03  -0.06  -0.02     0.13  -0.15  -0.05    -0.00   0.09   0.01
    26   1    -0.01  -0.16   0.06    -0.05  -0.44   0.16     0.00   0.16  -0.06
    27   1     0.01  -0.04   0.06     0.06  -0.06   0.18     0.02   0.06  -0.06
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1295.6756              1298.8084              1348.3133
 Red. masses --      1.6230                 1.7456                 1.3538
 Frc consts  --      1.6053                 1.7349                 1.4501
 IR Inten    --      1.9368                 0.8701                 0.1408
 RamAct Fr= 1--     26.7849                 9.2664                17.4382
  Dep-P Fr= 1--      0.1989                 0.2191                 0.2374
  Dep-U Fr= 1--      0.3318                 0.3595                 0.3837
 Alpha2 Fr= 1--      0.3648                 0.1196                 0.2141
 Beta2  Fr= 1--      1.4813                 0.5552                 1.1151
 AlphaG Fr= 1--     -0.1744                 0.1182                -0.1142
 Gamma2 Fr= 1--     -2.8497                -3.5153                 2.0761
 Delta2 Fr= 1--     -0.0113                -1.2247                 0.5013
 Raman1 Fr= 1--     107.140                 37.065                 69.753
 ROA1   Fr= 1--    -273.935               -376.662                215.345
 CID1   Fr= 1--      -2.557                -10.162                  3.087
 Raman2 Fr= 1--      17.775                  6.663                 13.381
 ROA2   Fr= 1--     -68.302                -74.570                 45.815
 CID2   Fr= 1--      -3.843                -11.192                  3.424
 Raman3 Fr= 1--      35.551                 13.325                 26.762
 ROA3   Fr= 1--    -273.935               -376.662                215.345
 CID3   Fr= 1--      -7.705                -28.266                  8.047
 RC180  Fr= 1--      -0.336                 -0.281                 -0.233
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04  -0.01     0.03   0.00   0.04     0.01   0.00   0.01
     2   6     0.03   0.13   0.03    -0.13  -0.04  -0.13    -0.03  -0.00  -0.03
     3   6     0.05  -0.00   0.02     0.04  -0.05   0.04     0.04  -0.03   0.02
     4   6    -0.04   0.04  -0.01    -0.03   0.06  -0.04    -0.03  -0.08   0.03
     5   6    -0.03  -0.01  -0.01    -0.07  -0.04   0.00    -0.03   0.12  -0.05
     6   6    -0.01  -0.01  -0.00     0.03   0.03  -0.00    -0.01  -0.02   0.00
     7   8     0.02  -0.01   0.01     0.01  -0.02   0.01     0.01   0.00   0.00
     8   6    -0.01  -0.05   0.00     0.03   0.02   0.03     0.00   0.00   0.01
     9   6     0.00  -0.12  -0.00     0.00   0.03   0.03     0.00  -0.00   0.00
    10   6     0.02   0.03  -0.09     0.03   0.02  -0.02     0.00   0.01  -0.02
    11   6    -0.00  -0.00   0.00    -0.02  -0.01  -0.00    -0.01  -0.02   0.01
    12   1    -0.09   0.25   0.14    -0.05   0.14  -0.02    -0.02   0.05  -0.00
    13   1    -0.13   0.46   0.11     0.14  -0.51  -0.09     0.02  -0.05  -0.01
    14   1    -0.16  -0.18   0.04    -0.04   0.29   0.12    -0.14  -0.01   0.08
    15   1    -0.15  -0.05   0.27     0.00   0.00   0.03     0.01   0.03  -0.01
    16   1    -0.19  -0.17   0.29    -0.17  -0.02   0.24    -0.05  -0.06   0.10
    17   1    -0.04  -0.06  -0.06    -0.08   0.02   0.02    -0.01  -0.00  -0.00
    18   1     0.02   0.00  -0.03     0.05   0.17   0.08     0.01   0.03   0.02
    19   1    -0.04  -0.01  -0.05    -0.01   0.12  -0.04    -0.01   0.01  -0.01
    20   1     0.02   0.13  -0.03     0.01  -0.06   0.03    -0.00  -0.01   0.00
    21   1    -0.11   0.07  -0.10     0.16  -0.06   0.06     0.03  -0.01   0.01
    22   1     0.05   0.03   0.10     0.07  -0.05  -0.04     0.03  -0.01  -0.00
    23   1     0.08   0.01  -0.01     0.07   0.06   0.01     0.81  -0.19   0.28
    24   1     0.45  -0.04   0.14     0.52  -0.09   0.17    -0.27   0.14  -0.13
    25   1     0.02   0.03  -0.00     0.04  -0.01  -0.01     0.04   0.08   0.01
    26   1    -0.01   0.03  -0.01    -0.01  -0.06   0.02    -0.02   0.11  -0.05
    27   1     0.02   0.03  -0.01     0.03   0.00   0.03     0.05   0.06  -0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1371.8225              1389.3007              1405.2518
 Red. masses --      1.5938                 1.3595                 1.2870
 Frc consts  --      1.7671                 1.5460                 1.4974
 IR Inten    --      1.3943                44.5455                 9.7517
 RamAct Fr= 1--     24.0828                 0.9658                 1.6957
  Dep-P Fr= 1--      0.2889                 0.7090                 0.4595
  Dep-U Fr= 1--      0.4483                 0.8297                 0.6296
 Alpha2 Fr= 1--      0.2553                 0.0007                 0.0100
 Beta2  Fr= 1--      1.7993                 0.1335                 0.1779
 AlphaG Fr= 1--      0.1231                 0.0012                 0.0104
 Gamma2 Fr= 1--      0.5978                 0.2028                -0.0873
 Delta2 Fr= 1--      0.2108                -0.1258                 0.0076
 Raman1 Fr= 1--      96.331                  3.863                  6.783
 ROA1   Fr= 1--      64.131                 15.440                 -8.136
 CID1   Fr= 1--       0.666                  3.997                 -1.200
 Raman2 Fr= 1--      21.592                  1.603                  2.135
 ROA2   Fr= 1--      12.659                  5.873                 -2.155
 CID2   Fr= 1--       0.586                  3.665                 -1.009
 Raman3 Fr= 1--      43.183                  3.205                  4.271
 ROA3   Fr= 1--      64.131                 15.440                 -8.136
 CID3   Fr= 1--       1.485                  4.817                 -1.905
 RC180  Fr= 1--      -0.103                  0.659                  0.259
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00     0.00   0.00   0.00    -0.04  -0.08  -0.06
     2   6     0.04   0.03   0.04     0.00  -0.00   0.00     0.03   0.02   0.03
     3   6    -0.15  -0.13   0.01    -0.00   0.00  -0.00    -0.02  -0.02  -0.00
     4   6     0.03   0.04  -0.04     0.01   0.01  -0.00     0.00   0.01  -0.00
     5   6    -0.04  -0.00  -0.01    -0.01  -0.03   0.01    -0.01  -0.00  -0.00
     6   6     0.02   0.02   0.00     0.05   0.05  -0.01     0.00   0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00  -0.00   0.00
     8   6     0.01  -0.01  -0.01     0.00  -0.00  -0.00    -0.09   0.02  -0.05
     9   6     0.00  -0.02  -0.01     0.00   0.00  -0.00    -0.00  -0.01  -0.01
    10   6     0.03   0.03   0.02    -0.00   0.00   0.00     0.00   0.01   0.00
    11   6    -0.01  -0.00  -0.00    -0.04  -0.15   0.04    -0.00  -0.00   0.00
    12   1    -0.01   0.05  -0.01     0.00  -0.00   0.00     0.01  -0.02   0.02
    13   1    -0.00   0.13  -0.01    -0.00   0.00  -0.00    -0.01   0.06  -0.00
    14   1     0.64   0.48  -0.09     0.02   0.01  -0.01     0.09   0.04  -0.02
    15   1    -0.07  -0.04   0.13    -0.00  -0.01  -0.01    -0.02  -0.03  -0.00
    16   1     0.06   0.18  -0.13     0.02  -0.00  -0.01     0.02   0.00  -0.01
    17   1     0.01  -0.05  -0.07    -0.00   0.00  -0.00     0.10   0.19   0.34
    18   1    -0.00  -0.10  -0.06     0.00  -0.01  -0.01    -0.04   0.36   0.16
    19   1    -0.04  -0.07  -0.01    -0.01  -0.00  -0.01     0.27   0.30   0.13
    20   1    -0.01   0.04  -0.04    -0.00   0.00  -0.00     0.25  -0.04   0.31
    21   1    -0.08   0.05  -0.03    -0.01   0.00  -0.00     0.30  -0.22   0.09
    22   1    -0.10   0.02   0.00    -0.01   0.00  -0.00     0.38   0.05   0.10
    23   1     0.34   0.03   0.11    -0.13   0.03  -0.04     0.04   0.00   0.01
    24   1     0.13  -0.02   0.03    -0.06  -0.03  -0.00     0.02  -0.00   0.00
    25   1     0.03  -0.02  -0.01     0.15   0.57   0.09     0.01   0.00  -0.00
    26   1    -0.01   0.00   0.00    -0.08   0.44  -0.19    -0.00   0.01  -0.00
    27   1     0.02  -0.01   0.04     0.27   0.40  -0.34     0.01   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1421.7852              1471.4746              1480.2533
 Red. masses --      1.2293                 1.0565                 1.0472
 Frc consts  --      1.4641                 1.3478                 1.3519
 IR Inten    --      3.1354                 9.9414                 9.7098
 RamAct Fr= 1--      0.7577                 3.4243                 4.0203
  Dep-P Fr= 1--      0.7087                 0.7483                 0.7471
  Dep-U Fr= 1--      0.8295                 0.8560                 0.8552
 Alpha2 Fr= 1--      0.0005                 0.0001                 0.0002
 Beta2  Fr= 1--      0.1048                 0.4885                 0.5731
 AlphaG Fr= 1--      0.0035                 0.0018                -0.0053
 Gamma2 Fr= 1--      0.2347                 0.6396                 0.7484
 Delta2 Fr= 1--     -0.0727                 0.3804                 0.8339
 Raman1 Fr= 1--       3.031                 13.697                 16.081
 ROA1   Fr= 1--      20.207                 73.572                 98.530
 CID1   Fr= 1--       6.667                  5.371                  6.127
 Raman2 Fr= 1--       1.257                  5.862                  6.877
 ROA2   Fr= 1--       6.216                 12.307                 11.290
 CID2   Fr= 1--       4.945                  2.099                  1.642
 Raman3 Fr= 1--       2.514                 11.725                 13.753
 ROA3   Fr= 1--      20.207                 73.572                 98.530
 CID3   Fr= 1--       8.037                  6.275                  7.164
 RC180  Fr= 1--       0.659                  0.712                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.08   0.05    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.02   0.01     0.00  -0.01  -0.02
     7   8    -0.00   0.00  -0.00    -0.02   0.02  -0.01     0.00  -0.00   0.00
     8   6    -0.09   0.03  -0.04     0.00  -0.00  -0.00     0.00   0.00  -0.00
     9   6     0.01  -0.01  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
    10   6    -0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00    -0.05  -0.00  -0.01     0.02  -0.02  -0.05
    12   1     0.01   0.03   0.06     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1    -0.05   0.02   0.04    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1    -0.02   0.01   0.01    -0.01  -0.01  -0.00    -0.00  -0.00   0.00
    15   1    -0.02  -0.01  -0.01    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    16   1     0.02  -0.02   0.00     0.00  -0.01  -0.00     0.00  -0.00   0.00
    17   1    -0.05  -0.19  -0.34     0.02  -0.00   0.00     0.04   0.00   0.02
    18   1     0.03  -0.34  -0.16     0.01   0.02  -0.01     0.03   0.03  -0.04
    19   1    -0.24  -0.32  -0.09    -0.00  -0.01  -0.00    -0.03  -0.01  -0.02
    20   1     0.24  -0.11   0.33    -0.01  -0.00  -0.01    -0.02  -0.01  -0.02
    21   1     0.31  -0.23   0.10    -0.01  -0.00   0.01    -0.02  -0.02   0.03
    22   1     0.42   0.01   0.05    -0.00   0.00   0.01     0.01   0.02   0.02
    23   1    -0.01   0.01  -0.00    -0.05   0.00  -0.01     0.00  -0.00  -0.01
    24   1     0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   1     0.00  -0.00  -0.00     0.51  -0.33  -0.14    -0.46  -0.18   0.02
    26   1    -0.00   0.00  -0.00    -0.07   0.40  -0.15    -0.17   0.24   0.66
    27   1     0.00  -0.00   0.00     0.36  -0.06   0.53     0.40   0.23   0.07
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1484.0101              1487.3344              1493.6611
 Red. masses --      1.0685                 1.0465                 1.0646
 Frc consts  --      1.3865                 1.3640                 1.3994
 IR Inten    --      0.5633                 0.8839                 8.2058
 RamAct Fr= 1--      3.9305                 7.5499                 4.1178
  Dep-P Fr= 1--      0.6277                 0.7290                 0.5947
  Dep-U Fr= 1--      0.7713                 0.8432                 0.7459
 Alpha2 Fr= 1--      0.0088                 0.0027                 0.0119
 Beta2  Fr= 1--      0.5052                 1.0611                 0.5119
 AlphaG Fr= 1--      0.0145                 0.0028                 0.0146
 Gamma2 Fr= 1--     -1.4084                -0.6270                 0.7678
 Delta2 Fr= 1--     -1.1686                 0.0162                 0.3688
 Raman1 Fr= 1--      15.722                 30.200                 16.471
 ROA1   Fr= 1--    -172.602                -59.671                 85.509
 CID1   Fr= 1--     -10.978                 -1.976                  5.191
 Raman2 Fr= 1--       6.063                 12.733                  6.143
 ROA2   Fr= 1--     -24.452                -15.177                 15.477
 CID2   Fr= 1--      -4.033                 -1.192                  2.520
 Raman3 Fr= 1--      12.126                 25.465                 12.285
 ROA3   Fr= 1--    -172.602                -59.671                 85.509
 CID3   Fr= 1--     -14.234                 -2.343                  6.960
 RC180  Fr= 1--       0.543                  0.686                  0.492
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.01    -0.02  -0.01   0.03    -0.02   0.02  -0.01
     2   6     0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.02  -0.00  -0.02
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6     0.01   0.03  -0.00     0.02   0.00  -0.04     0.01  -0.03  -0.01
     9   6     0.01   0.01  -0.05    -0.00  -0.00   0.01     0.02   0.01  -0.04
    10   6     0.00  -0.03  -0.01    -0.00   0.01   0.00     0.00  -0.02  -0.01
    11   6    -0.00   0.00   0.00     0.00   0.00   0.01     0.00  -0.00   0.00
    12   1     0.15  -0.06   0.41    -0.03   0.01  -0.08     0.12  -0.02   0.33
    13   1    -0.35  -0.14   0.23     0.07   0.03  -0.05    -0.29  -0.15   0.20
    14   1     0.01   0.00  -0.00     0.01   0.00   0.00    -0.02   0.01   0.01
    15   1     0.13   0.18   0.16    -0.04  -0.06  -0.06     0.11   0.15   0.13
    16   1    -0.16   0.23  -0.01     0.05  -0.08   0.01    -0.13   0.19  -0.01
    17   1    -0.18   0.12   0.16     0.33   0.01   0.12     0.27  -0.15  -0.18
    18   1     0.06  -0.11  -0.14     0.22   0.21  -0.34    -0.06   0.20   0.17
    19   1    -0.11   0.25  -0.19    -0.21  -0.06  -0.16     0.15  -0.30   0.25
    20   1    -0.11  -0.33   0.00    -0.20  -0.10  -0.21     0.01   0.29  -0.11
    21   1    -0.22   0.04   0.10    -0.20  -0.22   0.43     0.13  -0.12   0.08
    22   1     0.19  -0.09  -0.10     0.11   0.26   0.32    -0.15   0.19   0.22
    23   1     0.00  -0.00   0.00     0.00   0.00   0.01    -0.01   0.00   0.00
    24   1    -0.02   0.00  -0.01     0.01  -0.00   0.00    -0.02   0.00  -0.01
    25   1     0.01   0.00  -0.00     0.03   0.03   0.00    -0.00   0.01   0.00
    26   1     0.00  -0.00  -0.01     0.02  -0.04  -0.06     0.00  -0.00   0.00
    27   1    -0.00  -0.00   0.00    -0.05  -0.02  -0.02    -0.00   0.00  -0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1503.3571              1506.6202              1510.6513
 Red. masses --      1.0809                 1.0728                 1.0683
 Frc consts  --      1.4394                 1.4347                 1.4364
 IR Inten    --      1.0366                12.3763                 6.4405
 RamAct Fr= 1--      9.3364                 4.5481                 0.5531
  Dep-P Fr= 1--      0.7181                 0.7317                 0.2954
  Dep-U Fr= 1--      0.8359                 0.8451                 0.4561
 Alpha2 Fr= 1--      0.0051                 0.0014                 0.0058
 Beta2  Fr= 1--      1.3007                 0.6406                 0.0420
 AlphaG Fr= 1--      0.0002                -0.0064                 0.0041
 Gamma2 Fr= 1--      1.6002                -0.4897                -0.1355
 Delta2 Fr= 1--     -0.4453                 0.6550                 0.2467
 Raman1 Fr= 1--      37.346                 18.192                  2.212
 ROA1   Fr= 1--     139.367                -26.052                 -5.110
 CID1   Fr= 1--       3.732                 -1.432                 -2.310
 Raman2 Fr= 1--      15.609                  7.687                  0.505
 ROA2   Fr= 1--      41.967                -16.993                 -5.224
 CID2   Fr= 1--       2.689                 -2.211                -10.355
 Raman3 Fr= 1--      31.217                 15.373                  1.009
 ROA3   Fr= 1--     139.367                -26.052                 -5.110
 CID3   Fr= 1--       4.464                 -1.695                 -5.065
 RC180  Fr= 1--       0.672                  0.690                 -0.088
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00  -0.01     0.01  -0.01   0.02    -0.02  -0.01   0.02
     2   6    -0.02   0.04   0.01    -0.00  -0.02   0.02    -0.02  -0.01   0.02
     3   6     0.01  -0.00  -0.01     0.01   0.01  -0.01    -0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00   0.02   0.01    -0.02  -0.02  -0.00    -0.01  -0.00   0.03
     9   6    -0.01  -0.02   0.03    -0.01  -0.01   0.02     0.01   0.02  -0.03
    10   6     0.01  -0.04  -0.01     0.00  -0.05  -0.01    -0.00   0.03   0.01
    11   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    12   1    -0.09   0.04  -0.19    -0.07   0.02  -0.18     0.09  -0.02   0.22
    13   1     0.17   0.08  -0.11     0.15   0.06  -0.11    -0.19  -0.09   0.12
    14   1    -0.02   0.00  -0.00    -0.03  -0.02  -0.01     0.02  -0.00  -0.00
    15   1     0.16   0.20   0.17     0.22   0.28   0.23    -0.12  -0.16  -0.15
    16   1    -0.18   0.26  -0.01    -0.24   0.35  -0.01     0.15  -0.21   0.01
    17   1     0.36  -0.13  -0.10    -0.01   0.10   0.16     0.36   0.02   0.13
    18   1     0.04   0.27   0.01     0.15  -0.04  -0.28     0.22   0.25  -0.32
    19   1     0.03  -0.29   0.13    -0.21   0.14  -0.24    -0.20  -0.09  -0.14
    20   1    -0.01  -0.36   0.13     0.15   0.35   0.04     0.15   0.10   0.14
    21   1    -0.19   0.16  -0.09     0.29  -0.05  -0.14     0.15   0.17  -0.33
    22   1     0.20  -0.23  -0.26    -0.20   0.07   0.07    -0.14  -0.19  -0.24
    23   1    -0.02   0.00  -0.00    -0.01  -0.00  -0.00     0.01   0.00   0.01
    24   1    -0.04   0.00  -0.00    -0.05   0.00  -0.01     0.03  -0.00   0.01
    25   1     0.00   0.01   0.00     0.01   0.00  -0.00     0.00   0.01   0.00
    26   1     0.00  -0.00  -0.01     0.00   0.00  -0.01     0.00  -0.01  -0.01
    27   1    -0.01  -0.00  -0.01    -0.00  -0.00   0.00    -0.02  -0.01  -0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1695.6931              1736.4569              3019.2955
 Red. masses --      5.8040                 9.8639                 1.0356
 Frc consts  --      9.8327                17.5237                 5.5625
 IR Inten    --     71.1314               276.3027                21.2172
 RamAct Fr= 1--    385.9860               222.7734                 7.4393
  Dep-P Fr= 1--      0.2888                 0.3354                 0.3656
  Dep-U Fr= 1--      0.4482                 0.5024                 0.5355
 Alpha2 Fr= 1--      4.0927                 2.0491                 0.0620
 Beta2  Fr= 1--     28.8307                18.6520                 0.6639
 AlphaG Fr= 1--      1.5746                 0.0029                 0.0767
 Gamma2 Fr= 1--     10.4343                -2.9252                -1.2269
 Delta2 Fr= 1--      0.2560                 1.0689                -0.9539
 Raman1 Fr= 1--    1543.944                891.094                 29.757
 ROA1   Fr= 1--    1009.884               -246.612               -148.311
 CID1   Fr= 1--       0.654                 -0.277                 -4.984
 Raman2 Fr= 1--     345.969                223.824                  7.967
 ROA2   Fr= 1--     248.375                -78.755                -21.815
 CID2   Fr= 1--       0.718                 -0.352                 -2.738
 Raman3 Fr= 1--     691.937                447.648                 15.934
 ROA3   Fr= 1--    1009.884               -246.612               -148.311
 CID3   Fr= 1--       1.460                 -0.551                 -9.308
 RC180  Fr= 1--      -0.104                  0.005                  0.071
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.03   0.01
     2   6    -0.02   0.01   0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.06   0.01  -0.03     0.01   0.00  -0.00    -0.00   0.00  -0.01
     4   6     0.40  -0.17   0.18    -0.01  -0.01   0.00    -0.00  -0.00   0.00
     5   6    -0.38   0.17  -0.17    -0.06   0.04  -0.03     0.00  -0.00  -0.00
     6   6    -0.00   0.02  -0.01     0.48  -0.43   0.30    -0.00   0.00  -0.00
     7   8     0.05  -0.02   0.02    -0.31   0.28  -0.19     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.03  -0.01   0.02
     9   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6     0.01  -0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.01   0.00  -0.00    -0.02   0.03  -0.02    -0.00   0.00  -0.00
    12   1    -0.01   0.01  -0.03    -0.00   0.00  -0.00     0.01   0.00  -0.00
    13   1     0.02   0.00  -0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    14   1    -0.19  -0.03   0.01     0.00   0.01   0.00     0.03  -0.02   0.11
    15   1    -0.01  -0.03   0.02    -0.02  -0.02  -0.01    -0.00   0.00  -0.00
    16   1     0.01   0.06  -0.04     0.01  -0.02  -0.00     0.00   0.00   0.00
    17   1     0.01  -0.00  -0.01    -0.00   0.00  -0.00    -0.05  -0.33   0.24
    18   1     0.01   0.00  -0.01    -0.00   0.00   0.01    -0.23   0.06  -0.12
    19   1    -0.02  -0.02  -0.01     0.00  -0.00   0.00     0.25  -0.07  -0.26
    20   1     0.02  -0.00   0.01     0.00  -0.00   0.00    -0.32   0.11   0.32
    21   1     0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.12  -0.31  -0.21
    22   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.07   0.38  -0.30
    23   1    -0.52  -0.12  -0.10    -0.01  -0.01  -0.00     0.00   0.01  -0.00
    24   1     0.43   0.16   0.05     0.29  -0.01   0.08     0.00  -0.00   0.00
    25   1     0.04  -0.01  -0.01    -0.08   0.19   0.02     0.00  -0.00   0.00
    26   1    -0.01  -0.01   0.00     0.02  -0.28   0.11    -0.00  -0.00  -0.00
    27   1     0.03   0.01   0.03    -0.03   0.12  -0.17     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3023.1097              3027.0216              3040.6336
 Red. masses --      1.0489                 1.0694                 1.0372
 Frc consts  --      5.6477                 5.7734                 5.6499
 IR Inten    --     22.2480                38.9926                 3.3599
 RamAct Fr= 1--    142.4188               293.1250               143.2600
  Dep-P Fr= 1--      0.1254                 0.0513                 0.0090
  Dep-U Fr= 1--      0.2228                 0.0976                 0.0178
 Alpha2 Fr= 1--      2.3423                 5.7725                 3.1175
 Beta2  Fr= 1--      5.2882                 4.7661                 0.4244
 AlphaG Fr= 1--      0.6774                -3.3065                 0.9125
 Gamma2 Fr= 1--     10.3108               -10.1823                 0.3711
 Delta2 Fr= 1--      7.6880               -19.3741                -1.9184
 Raman1 Fr= 1--     569.675               1172.500                573.040
 ROA1   Fr= 1--    1235.854              -1597.469                -25.762
 CID1   Fr= 1--       2.169                 -1.362                 -0.045
 Raman2 Fr= 1--      63.458                 57.193                  5.093
 ROA2   Fr= 1--     185.956                -89.381                 24.254
 CID2   Fr= 1--       2.930                 -1.563                  4.763
 Raman3 Fr= 1--     126.917                114.387                 10.185
 ROA3   Fr= 1--    1235.854              -1597.469                -25.762
 CID3   Fr= 1--       9.738                -13.966                 -2.529
 RC180  Fr= 1--      -0.554                 -0.805                 -0.964
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.01     0.00   0.02   0.01     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.01   0.01  -0.04    -0.02   0.01  -0.07     0.00  -0.00   0.00
     4   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6     0.02  -0.01   0.01    -0.02   0.01  -0.01     0.00  -0.00   0.00
     9   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
    10   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.05  -0.02
    12   1     0.04   0.01  -0.01    -0.06  -0.02   0.01     0.00   0.00  -0.00
    13   1    -0.02  -0.00  -0.02     0.04   0.00   0.05    -0.00   0.00  -0.00
    14   1     0.14  -0.09   0.49     0.22  -0.14   0.78    -0.01   0.00  -0.02
    15   1    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
    16   1    -0.02  -0.01  -0.02    -0.06  -0.04  -0.06     0.00   0.00   0.00
    17   1     0.06   0.38  -0.27    -0.03  -0.19   0.14     0.00   0.00  -0.00
    18   1     0.27  -0.07   0.14    -0.14   0.04  -0.07     0.00  -0.00   0.00
    19   1    -0.29   0.08   0.29     0.14  -0.04  -0.15    -0.00   0.00   0.00
    20   1    -0.19   0.06   0.19     0.18  -0.06  -0.18    -0.00   0.00   0.00
    21   1    -0.08  -0.21  -0.14     0.06   0.16   0.11    -0.00  -0.00  -0.00
    22   1     0.04   0.23  -0.18    -0.03  -0.19   0.15     0.00   0.00  -0.00
    23   1     0.00   0.02  -0.00     0.01   0.05  -0.01     0.01   0.02  -0.01
    24   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00     0.00  -0.00   0.00
    25   1     0.00  -0.00   0.00     0.00  -0.00   0.01     0.10  -0.07   0.63
    26   1    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00    -0.38  -0.05  -0.08
    27   1     0.00  -0.00  -0.00     0.01  -0.01  -0.01     0.37  -0.44  -0.33
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3054.5170              3075.2246              3077.2020
 Red. masses --      1.0577                 1.1006                 1.0653
 Frc consts  --      5.8145                 6.1326                 5.9436
 IR Inten    --     33.7667                 5.6275                16.4610
 RamAct Fr= 1--    165.9851                22.0866               141.2698
  Dep-P Fr= 1--      0.0869                 0.7488                 0.0585
  Dep-U Fr= 1--      0.1598                 0.8564                 0.1105
 Alpha2 Fr= 1--      3.0008                 0.0005                 2.7345
 Beta2  Fr= 1--      4.4214                 3.1523                 2.6026
 AlphaG Fr= 1--     -0.7351                -0.0150                 1.4507
 Gamma2 Fr= 1--      0.6401                -1.7700               -10.0536
 Delta2 Fr= 1--     -4.4535                -3.1124                -8.2124
 Raman1 Fr= 1--     663.941                 88.346                565.079
 ROA1   Fr= 1--     -81.065               -269.518              -1227.945
 CID1   Fr= 1--      -0.122                 -3.051                 -2.173
 Raman2 Fr= 1--      53.057                 37.828                 31.231
 ROA2   Fr= 1--      50.990                -17.581               -175.588
 CID2   Fr= 1--       0.961                 -0.465                 -5.622
 Raman3 Fr= 1--     106.114                 75.656                 62.462
 ROA3   Fr= 1--     -81.065               -269.518              -1227.945
 CID3   Fr= 1--      -0.764                 -3.562                -19.659
 RC180  Fr= 1--      -0.680                  0.713                 -0.779
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.04  -0.03   0.07    -0.01  -0.00   0.01
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
     4   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00  -0.00     0.02   0.01  -0.03     0.00   0.02   0.00
     9   6    -0.02  -0.02   0.06    -0.01  -0.00  -0.00     0.01   0.00   0.01
    10   6    -0.00   0.01   0.00     0.00   0.01   0.01    -0.01  -0.06  -0.03
    11   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    12   1     0.65   0.22  -0.17     0.05   0.02  -0.01    -0.07  -0.03   0.02
    13   1    -0.42   0.00  -0.54     0.03   0.00   0.05    -0.11   0.00  -0.15
    14   1     0.01  -0.01   0.05     0.00   0.00   0.00     0.02  -0.02   0.08
    15   1     0.06  -0.05   0.02     0.05  -0.04   0.01    -0.38   0.31  -0.11
    16   1    -0.03  -0.02  -0.03    -0.08  -0.05  -0.07     0.55   0.33   0.48
    17   1    -0.01  -0.05   0.03     0.07   0.49  -0.33     0.01   0.07  -0.05
    18   1    -0.01   0.00  -0.01    -0.04   0.00   0.00    -0.01   0.00  -0.00
    19   1     0.02  -0.01  -0.02     0.44  -0.15  -0.44     0.08  -0.03  -0.08
    20   1     0.02  -0.01  -0.02    -0.22   0.08   0.22     0.04  -0.01  -0.03
    21   1     0.01   0.03   0.02     0.00   0.00  -0.01    -0.04  -0.10  -0.07
    22   1    -0.01  -0.04   0.03    -0.04  -0.24   0.19    -0.01  -0.08   0.07
    23   1     0.00   0.01  -0.00    -0.00  -0.02   0.01     0.00   0.02  -0.01
    24   1     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.02   0.01
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    26   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    27   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3082.1453              3088.6110              3096.4145
 Red. masses --      1.1011                 1.1004                 1.0993
 Frc consts  --      6.1626                 6.1848                 6.2098
 IR Inten    --     48.5628                33.2501                 8.0798
 RamAct Fr= 1--    135.6919                74.0329                35.6270
  Dep-P Fr= 1--      0.7176                 0.7211                 0.7464
  Dep-U Fr= 1--      0.8356                 0.8379                 0.8548
 Alpha2 Fr= 1--      0.0759                 0.0368                 0.0021
 Beta2  Fr= 1--     18.8964                10.3393                 5.0758
 AlphaG Fr= 1--      0.2355                 0.0230                 0.0609
 Gamma2 Fr= 1--     -0.6120                 7.2267                 3.6481
 Delta2 Fr= 1--     10.1018                -1.8795                 3.1482
 Raman1 Fr= 1--     542.768                296.132                142.508
 ROA1   Fr= 1--     264.504                633.615                450.957
 CID1   Fr= 1--       0.487                  2.140                  3.164
 Raman2 Fr= 1--     226.757                124.071                 60.909
 ROA2   Fr= 1--     -95.503                188.476                 62.368
 CID2   Fr= 1--      -0.421                  1.519                  1.024
 Raman3 Fr= 1--     453.514                248.142                121.818
 ROA3   Fr= 1--     264.504                633.615                450.957
 CID3   Fr= 1--       0.583                  2.553                  3.702
 RC180  Fr= 1--       0.671                  0.676                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.03    -0.01   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.04  -0.03   0.06    -0.00  -0.08  -0.05     0.00   0.00   0.00
     9   6     0.00   0.00   0.00     0.01   0.00   0.01     0.00   0.00   0.00
    10   6    -0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00   0.00  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.02  -0.03  -0.08
    12   1    -0.02  -0.00   0.00    -0.08  -0.03   0.02    -0.02  -0.01   0.00
    13   1    -0.03   0.00  -0.04    -0.06   0.00  -0.08    -0.01   0.00  -0.01
    14   1    -0.00   0.00  -0.02     0.01  -0.01   0.03     0.00   0.00   0.00
    15   1     0.02  -0.01   0.00    -0.08   0.06  -0.02     0.01  -0.01   0.00
    16   1    -0.01  -0.01  -0.01     0.08   0.05   0.07    -0.00  -0.00  -0.00
    17   1     0.03   0.25  -0.17    -0.00  -0.03   0.02    -0.00  -0.01   0.00
    18   1    -0.02  -0.00   0.00     0.07  -0.02   0.04     0.03  -0.01   0.01
    19   1     0.23  -0.08  -0.23     0.01  -0.00  -0.01     0.01  -0.00  -0.01
    20   1     0.42  -0.15  -0.40    -0.30   0.08   0.28    -0.00   0.00   0.00
    21   1     0.02   0.07   0.06     0.27   0.65   0.44    -0.00  -0.00  -0.00
    22   1     0.07   0.51  -0.39     0.04   0.20  -0.18    -0.00  -0.00   0.00
    23   1    -0.00  -0.02   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    24   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.13  -0.09   0.69
    26   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01  -0.01  -0.02
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.39   0.47   0.32
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3096.9929              3100.1401              3123.9129
 Red. masses --      1.1026                 1.1027                 1.1064
 Frc consts  --      6.2308                 6.2441                 6.3612
 IR Inten    --     18.7827                34.3250                33.5559
 RamAct Fr= 1--     46.7340                72.6592                51.4675
  Dep-P Fr= 1--      0.4677                 0.6535                 0.7331
  Dep-U Fr= 1--      0.6374                 0.7904                 0.8460
 Alpha2 Fr= 1--      0.2663                 0.1257                 0.0149
 Beta2  Fr= 1--      4.9643                 9.5720                 7.2569
 AlphaG Fr= 1--      0.4402                 0.1186                -0.0622
 Gamma2 Fr= 1--    -57.9722                54.6692                19.9332
 Delta2 Fr= 1--    -32.0366                34.0545                 8.8790
 Raman1 Fr= 1--     186.936                290.637                205.870
 ROA1   Fr= 1--   -6590.504               6337.990               2197.718
 CID1   Fr= 1--     -35.255                 21.807                 10.675
 Raman2 Fr= 1--      59.572                114.864                 87.083
 ROA2   Fr= 1--   -1135.040               1039.626                407.365
 CID2   Fr= 1--     -19.053                  9.051                  4.678
 Raman3 Fr= 1--     119.144                229.729                174.166
 ROA3   Fr= 1--   -6590.504               6337.990               2197.718
 CID3   Fr= 1--     -55.316                 27.589                 12.619
 RC180  Fr= 1--       0.275                  0.581                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.03  -0.02    -0.05   0.03  -0.02    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6     0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   6     0.06   0.01   0.02    -0.06  -0.01  -0.02    -0.03  -0.00  -0.01
    10   6    -0.01   0.01  -0.00     0.02  -0.02   0.01    -0.08   0.02  -0.04
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.41  -0.14   0.12     0.43   0.15  -0.13     0.18   0.06  -0.05
    13   1    -0.25   0.01  -0.34     0.28  -0.01   0.38     0.15  -0.00   0.21
    14   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.04
    15   1     0.18  -0.16   0.05    -0.22   0.20  -0.06     0.55  -0.49   0.15
    16   1    -0.02  -0.01  -0.02    -0.01  -0.01  -0.01     0.36   0.25   0.33
    17   1    -0.04  -0.17   0.12    -0.04  -0.17   0.12    -0.00  -0.01   0.01
    18   1     0.57  -0.13   0.30     0.53  -0.12   0.28     0.03  -0.01   0.02
    19   1     0.16  -0.05  -0.18     0.13  -0.04  -0.15     0.00  -0.00  -0.01
    20   1     0.01  -0.00  -0.01     0.03  -0.01  -0.03    -0.01   0.00   0.01
    21   1    -0.04  -0.09  -0.06     0.00   0.01   0.01     0.02   0.04   0.03
    22   1    -0.01  -0.05   0.04     0.00   0.02  -0.02     0.00   0.01  -0.01
    23   1    -0.00  -0.01   0.00     0.00   0.01  -0.00    -0.00  -0.02   0.01
    24   1     0.00   0.02  -0.01    -0.00  -0.02   0.01     0.01   0.07  -0.02
    25   1    -0.00   0.00  -0.03    -0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    27   1     0.02  -0.02  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3139.1454              3146.2521              3179.7836
 Red. masses --      1.0877                 1.1008                 1.0881
 Frc consts  --      6.3153                 6.4203                 6.4823
 IR Inten    --     10.8260                 9.9266                 6.5280
 RamAct Fr= 1--     74.4231                81.0648                46.1488
  Dep-P Fr= 1--      0.1680                 0.6160                 0.2079
  Dep-U Fr= 1--      0.2877                 0.7624                 0.3443
 Alpha2 Fr= 1--      1.0987                 0.1991                 0.6136
 Beta2  Fr= 1--      3.5687                10.3005                 2.6479
 AlphaG Fr= 1--      0.3832                -0.1553                -0.1679
 Gamma2 Fr= 1--      2.0103                 0.2100                -3.0908
 Delta2 Fr= 1--      3.4842                -2.8925                -0.2923
 Raman1 Fr= 1--     297.692                324.259                184.595
 ROA1   Fr= 1--     304.480                -72.401               -306.072
 CID1   Fr= 1--       1.023                 -0.223                 -1.658
 Raman2 Fr= 1--      42.825                123.606                 31.775
 ROA2   Fr= 1--      20.373                 28.180                -71.841
 CID2   Fr= 1--       0.476                  0.228                 -2.261
 Raman3 Fr= 1--      85.650                247.213                 63.550
 ROA3   Fr= 1--     304.480                -72.401               -306.072
 CID3   Fr= 1--       3.555                 -0.293                 -4.816
 RC180  Fr= 1--      -0.425                  0.525                 -0.311
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.01  -0.08   0.03     0.00   0.01  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.01  -0.08   0.03
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    11   6    -0.01  -0.00  -0.00    -0.09   0.00  -0.03     0.00   0.00   0.00
    12   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1    -0.02   0.01  -0.05     0.00  -0.00   0.01     0.00  -0.00   0.00
    15   1     0.03  -0.02   0.01    -0.01   0.00  -0.00    -0.06   0.05  -0.02
    16   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    17   1     0.00   0.02  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1     0.01  -0.00   0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    19   1     0.01  -0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    21   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    22   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    23   1     0.19   0.91  -0.29    -0.03  -0.15   0.05     0.02   0.08  -0.03
    24   1    -0.01  -0.07   0.02     0.00   0.03  -0.01     0.15   0.93  -0.31
    25   1     0.00  -0.00   0.03     0.03  -0.03   0.27    -0.00   0.00  -0.00
    26   1     0.16   0.03   0.03     0.88   0.14   0.18    -0.01  -0.00  -0.00
    27   1     0.01  -0.02  -0.01     0.13  -0.18  -0.13    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   811.577443283.795113606.96683
           X            0.99989   0.01392  -0.00590
           Y           -0.01391   0.99990   0.00197
           Z            0.00593  -0.00189   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10672     0.02638     0.02401
 Rotational constants (GHZ):           2.22374     0.54959     0.50035
 Zero-point vibrational energy     622607.3 (Joules/Mol)
                                  148.80672 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     49.50    92.26   111.56   184.49   212.87
          (Kelvin)            243.53   341.07   365.48   387.46   398.78
                              442.94   499.16   536.85   637.28   676.21
                              762.38   821.69   852.60   924.94  1056.71
                             1157.59  1177.97  1236.32  1284.00  1307.99
                             1355.32  1376.61  1412.18  1423.26  1452.51
                             1475.04  1483.11  1512.56  1585.02  1592.92
                             1676.27  1727.86  1765.37  1789.99  1826.86
                             1838.72  1850.49  1864.19  1868.70  1939.92
                             1973.75  1998.89  2021.84  2045.63  2117.12
                             2129.75  2135.16  2139.94  2149.05  2163.00
                             2167.69  2173.49  2439.72  2498.37  4344.09
                             4349.58  4355.21  4374.79  4394.77  4424.56
                             4427.41  4434.52  4443.82  4455.05  4455.88
                             4460.41  4494.61  4516.53  4526.75  4575.00
 
 Zero-point correction=                           0.237139 (Hartree/Particle)
 Thermal correction to Energy=                    0.249545
 Thermal correction to Enthalpy=                  0.250490
 Thermal correction to Gibbs Free Energy=         0.198297
 Sum of electronic and zero-point Energies=           -465.872506
 Sum of electronic and thermal Energies=              -465.860099
 Sum of electronic and thermal Enthalpies=            -465.859155
 Sum of electronic and thermal Free Energies=         -465.911347
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.592             46.304            109.848
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.642
 Vibrational            154.815             40.342             38.238
 Vibration     1          0.594              1.983              5.558
 Vibration     2          0.597              1.971              4.326
 Vibration     3          0.599              1.964              3.952
 Vibration     4          0.611              1.925              2.972
 Vibration     5          0.617              1.905              2.698
 Vibration     6          0.625              1.880              2.444
 Vibration     7          0.656              1.784              1.825
 Vibration     8          0.665              1.756              1.702
 Vibration     9          0.674              1.730              1.601
 Vibration    10          0.678              1.716              1.551
 Vibration    11          0.698              1.659              1.374
 Vibration    12          0.725              1.582              1.180
 Vibration    13          0.745              1.527              1.067
 Vibration    14          0.803              1.376              0.817
 Vibration    15          0.827              1.317              0.738
 Vibration    16          0.885              1.184              0.587
 Vibration    17          0.927              1.094              0.502
 Vibration    18          0.950              1.048              0.463
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.616212D-91        -91.210270       -210.019407
 Total V=0       0.734210D+18         17.865820         41.137572
 Vib (Bot)       0.752882-105       -105.123273       -242.055281
 Vib (Bot)    1  0.601671D+01          0.779359          1.794540
 Vib (Bot)    2  0.321890D+01          0.507708          1.169040
 Vib (Bot)    3  0.265710D+01          0.424408          0.977236
 Vib (Bot)    4  0.159060D+01          0.201562          0.464114
 Vib (Bot)    5  0.137132D+01          0.137140          0.315776
 Vib (Bot)    6  0.119093D+01          0.075885          0.174731
 Vib (Bot)    7  0.828255D+00         -0.081836         -0.188435
 Vib (Bot)    8  0.766842D+00         -0.115294         -0.265474
 Vib (Bot)    9  0.717905D+00         -0.143933         -0.331418
 Vib (Bot)   10  0.694701D+00         -0.158202         -0.364273
 Vib (Bot)   11  0.614984D+00         -0.211136         -0.486159
 Vib (Bot)   12  0.532861D+00         -0.273386         -0.629494
 Vib (Bot)   13  0.486879D+00         -0.312579         -0.719740
 Vib (Bot)   14  0.389378D+00         -0.409629         -0.943205
 Vib (Bot)   15  0.358890D+00         -0.445039         -1.024739
 Vib (Bot)   16  0.301855D+00         -0.520202         -1.197809
 Vib (Bot)   17  0.269193D+00         -0.569936         -1.312326
 Vib (Bot)   18  0.253898D+00         -0.595341         -1.370822
 Vib (V=0)       0.897050D+04          3.952817          9.101697
 Vib (V=0)    1  0.653745D+01          0.815408          1.877546
 Vib (V=0)    2  0.375750D+01          0.574899          1.323754
 Vib (V=0)    3  0.320374D+01          0.505657          1.164317
 Vib (V=0)    4  0.216734D+01          0.335927          0.773501
 Vib (V=0)    5  0.195963D+01          0.292175          0.672757
 Vib (V=0)    6  0.179163D+01          0.253248          0.583125
 Vib (V=0)    7  0.146747D+01          0.166570          0.383542
 Vib (V=0)    8  0.141545D+01          0.150894          0.347447
 Vib (V=0)    9  0.137486D+01          0.138260          0.318355
 Vib (V=0)   10  0.135593D+01          0.132236          0.304485
 Vib (V=0)   11  0.129259D+01          0.111462          0.256651
 Vib (V=0)   12  0.123071D+01          0.090157          0.207594
 Vib (V=0)   13  0.119789D+01          0.078417          0.180562
 Vib (V=0)   14  0.113373D+01          0.054510          0.125514
 Vib (V=0)   15  0.111547D+01          0.047457          0.109275
 Vib (V=0)   16  0.108405D+01          0.035050          0.080706
 Vib (V=0)   17  0.106786D+01          0.028514          0.065657
 Vib (V=0)   18  0.106077D+01          0.025622          0.058996
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.110986D+07          6.045270         13.919748
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001463   -0.000001274   -0.000001383
      2        6          -0.000002203    0.000003291    0.000008605
      3        6          -0.000001508   -0.000003767   -0.000009967
      4        6          -0.000000082    0.000000268   -0.000002699
      5        6          -0.000001455    0.000000084    0.000004146
      6        6           0.000000556   -0.000001081   -0.000006309
      7        8           0.000001566   -0.000001458   -0.000005002
      8        6           0.000001518   -0.000001582    0.000001446
      9        6           0.000001143   -0.000001528   -0.000002151
     10        6           0.000003553    0.000001693    0.000004543
     11        6          -0.000002702    0.000005116    0.000011505
     12        1          -0.000000364   -0.000001583    0.000001457
     13        1          -0.000000772    0.000000905    0.000000179
     14        1           0.000000525    0.000001726    0.000001307
     15        1           0.000000946   -0.000001239   -0.000002657
     16        1          -0.000000710    0.000001368   -0.000001011
     17        1           0.000000119    0.000000897    0.000001967
     18        1          -0.000000138   -0.000000133    0.000000591
     19        1           0.000000013   -0.000001073    0.000002184
     20        1          -0.000000457   -0.000000111    0.000002309
     21        1          -0.000000789    0.000000614    0.000001416
     22        1           0.000000004    0.000000086    0.000002122
     23        1          -0.000000071    0.000000363   -0.000000093
     24        1          -0.000000617   -0.000000241   -0.000000849
     25        1           0.000001085   -0.000002093   -0.000004450
     26        1          -0.000000300   -0.000000223   -0.000001733
     27        1          -0.000000325    0.000000975   -0.000005472
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000011505 RMS     0.000002800
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.166288D+03 -0.596895D+01  0.752038D+01
      2  -0.596895D+01  0.119786D+03 -0.419939D+01
      3   0.752038D+01 -0.419939D+01  0.103815D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.374453D+01 -0.367105D+01 -0.833839D+01
      2   0.460447D+02 -0.171481D+02 -0.306431D+02
      3  -0.117157D+01  0.209553D+02  0.144175D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.494318D+02 -0.168799D+02  0.417448D+02
      2  -0.115569D+02  0.194056D+02 -0.141542D+02
      3  -0.378749D+02 -0.252568D+01 -0.275905D+02
      4   0.683339D+01 -0.367293D+02 -0.382876D+02
      5   0.329885D+02 -0.385710D+02 -0.782790D+02
      6  -0.156744D+02  0.142757D+01  0.232100D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.135025D+01 -0.290077D+00 -0.468158D+01  0.917571D+00  0.647847D+00
      2  -0.290077D+00  0.699308D+00  0.258475D+01  0.647847D+00 -0.298024D+01
      3  -0.468158D+01  0.258475D+01  0.163228D+01  0.245456D+01  0.333484D+01
                 6             7             8             9            10 
      1   0.245456D+01 -0.580967D+01  0.283012D+01  0.183610D+01 -0.159150D+02
      2   0.333484D+01  0.283012D+01  0.361539D+01 -0.178207D+01  0.242877D+01
      3  -0.708391D+00  0.183610D+01 -0.178207D+01 -0.214133D+01  0.525990D+01
                11            12            13            14            15 
      1   0.242877D+01  0.525990D+01  0.913212D+01 -0.300736D+01 -0.278934D+01
      2  -0.218810D+01 -0.233437D+01 -0.300736D+01  0.396531D+01 -0.366113D+01
      3  -0.233437D+01 -0.112807D+01 -0.278934D+01 -0.366113D+01  0.175856D+01
                16            17            18            19            20 
      1   0.187827D+02 -0.380634D+01 -0.334121D+01  0.333974D+02 -0.433606D+01
      2  -0.380634D+01 -0.298238D+01  0.174617D+01 -0.433606D+01  0.279122D+01
      3  -0.334121D+01  0.174617D+01  0.595473D+00 -0.690454D+00  0.910921D+00
                21            22            23            24            25 
      1  -0.690454D+00 -0.118666D+02  0.370823D+01  0.159565D+01 -0.601325D+01
      2   0.910921D+00  0.370823D+01  0.168576D+01 -0.179383D+01  0.213952D+01
      3   0.213559D+01  0.159565D+01 -0.179383D+01 -0.243164D+01  0.562441D+01
                26            27            28            29            30 
      1   0.213952D+01  0.562441D+01 -0.499327D+02  0.581678D+01 -0.486763D+01
      2  -0.264705D+01 -0.259906D+01  0.581678D+01 -0.222944D+01  0.401455D-02
      3  -0.259906D+01  0.501845D+01 -0.486763D+01  0.401455D-02 -0.226856D+01
                31            32            33            34            35 
      1   0.149435D+02 -0.545716D+01  0.131782D+01 -0.156012D+02  0.208064D+00
      2  -0.545716D+01 -0.130771D+01  0.119920D+01  0.208064D+00  0.130300D+01
      3   0.131782D+01  0.119920D+01  0.118641D+01 -0.695720D+01  0.781844D+00
                36            37            38            39            40 
      1  -0.695720D+01  0.495870D+02 -0.733184D+01  0.775405D+01 -0.107269D+02
      2   0.781844D+00 -0.733184D+01  0.127606D+01 -0.444103D+00  0.426641D+01
      3  -0.533216D+01  0.775405D+01 -0.444103D+00  0.288822D+01 -0.569946D+00
                41            42            43            44            45 
      1   0.426641D+01 -0.569946D+00  0.161388D+02 -0.127533D+01  0.615354D+01
      2   0.189118D+01 -0.202009D+01 -0.127533D+01 -0.215297D+01 -0.966143D+00
      3  -0.202009D+01 -0.145655D+01  0.615354D+01 -0.966143D+00  0.310713D+01
                46            47            48            49            50 
      1  -0.349469D+02  0.696205D+01 -0.811272D+01  0.708959D+01 -0.374629D+01
      2   0.696205D+01 -0.147268D+01  0.227016D+01 -0.374629D+01 -0.219138D+01
      3  -0.811272D+01  0.227016D+01 -0.143404D+01  0.331343D+01  0.281492D+00
                51            52            53            54            55 
      1   0.331343D+01 -0.115794D+02  0.344782D+01 -0.290891D+01  0.292422D+02
      2   0.281492D+00  0.344782D+01  0.701395D+00  0.950772D+00 -0.635194D+01
      3   0.987185D+00 -0.290891D+01  0.950772D+00 -0.123680D+01  0.615894D+01
                56            57            58            59            60 
      1  -0.635194D+01  0.615894D+01 -0.197474D+02  0.679217D+01 -0.434568D+01
      2   0.277981D+01 -0.151422D+01  0.679217D+01 -0.498247D+01  0.210813D+01
      3  -0.151422D+01  0.233039D+01 -0.434568D+01  0.210813D+01 -0.200951D+01
                61            62            63            64            65 
      1   0.132070D+02 -0.228253D+01  0.671228D+01  0.218671D+01 -0.192459D+00
      2  -0.228253D+01  0.105838D+01 -0.272585D+01 -0.192459D+00  0.117880D+01
      3   0.671228D+01 -0.272585D+01  0.462222D+01 -0.448340D+01  0.267194D+01
                66            67            68            69            70 
      1  -0.448340D+01  0.234607D+00  0.229189D+01  0.252942D+01 -0.743525D+01
      2   0.267194D+01  0.229189D+01 -0.119934D+01  0.464594D+01  0.259812D+01
      3   0.778670D+00  0.252942D+01  0.464594D+01 -0.997049D+00  0.274294D+01
                71            72            73            74            75 
      1   0.259812D+01  0.274294D+01  0.593652D+01  0.222292D+01 -0.344913D+01
      2   0.425157D+01 -0.146671D+01  0.222292D+01  0.488840D+00 -0.173233D+01
      3  -0.146671D+01  0.105856D+01 -0.344913D+01 -0.173233D+01 -0.206417D+01
                76            77            78            79            80 
      1   0.320823D+01  0.149660D+00 -0.213665D+01 -0.398009D+01 -0.104335D+01
      2   0.149660D+00 -0.501473D+01  0.323537D+01 -0.104335D+01  0.308854D+01
      3  -0.213665D+01  0.323537D+01  0.891472D+00 -0.214799D+01  0.138618D+01
                81            82            83            84            85 
      1  -0.214799D+01  0.383093D+00  0.148062D+01  0.894814D+00  0.463012D+00
      2   0.138618D+01  0.148062D+01 -0.243498D+01  0.266464D+01 -0.250572D+01
      3  -0.124651D+01  0.894814D+00  0.266464D+01  0.277238D+01  0.232103D+01
                86            87            88            89            90 
      1  -0.250572D+01  0.232103D+01  0.172599D-01  0.369494D+01  0.275693D+01
      2   0.825262D-01  0.156937D+01  0.369494D+01  0.150712D+01 -0.854523D+00
      3   0.156937D+01 -0.748557D+00  0.275693D+01 -0.854523D+00 -0.160718D+01
                91            92            93            94            95 
      1  -0.821144D+01 -0.192018D+01 -0.213652D+01  0.504713D+00  0.381856D+01
      2  -0.192018D+01  0.346577D+01 -0.161366D+00  0.381856D+01  0.100233D+01
      3  -0.213652D+01 -0.161366D+00  0.158089D+01 -0.286203D+00 -0.163805D+01
                96            97            98            99           100 
      1  -0.286203D+00 -0.340121D+01 -0.507477D+00  0.456566D+00 -0.840273D+01
      2  -0.163805D+01 -0.507477D+00 -0.173603D+01 -0.196508D+01 -0.286255D+01
      3  -0.127477D+01  0.456566D+00 -0.196508D+01  0.436450D+01  0.353854D+01
               101           102           103           104           105 
      1  -0.286255D+01  0.353854D+01 -0.150659D+01 -0.186807D+01  0.973010D+00
      2  -0.242070D+01  0.133356D+01 -0.186807D+01 -0.134618D+01  0.723136D+00
      3   0.133356D+01 -0.228397D+01  0.973010D+00  0.723136D+00 -0.799295D+00
               106           107           108           109           110 
      1   0.126277D+01  0.883485D+00 -0.162559D+01  0.150238D+01 -0.397441D+00
      2   0.883485D+00  0.465927D+00 -0.987985D+00 -0.397441D+00  0.968286D+00
      3  -0.162559D+01 -0.987985D+00  0.193468D+01  0.150663D+01 -0.188430D+00
               111           112           113           114           115 
      1   0.150663D+01  0.238832D+00  0.141027D+00  0.151232D+00  0.106348D+01
      2  -0.188430D+00  0.141027D+00 -0.283235D-01  0.513227D+00 -0.363911D-01
      3   0.306715D+01  0.151232D+00  0.513227D+00 -0.251251D+00  0.129789D+01
               116           117           118           119           120 
      1  -0.363911D-01  0.129789D+01 -0.460775D+01  0.958971D+00 -0.174525D+01
      2   0.119800D+01 -0.100383D+01  0.958971D+00 -0.535280D+00  0.206527D+00
      3  -0.100383D+01  0.625501D+01 -0.174525D+01  0.206527D+00 -0.194670D+01
               121           122           123           124           125 
      1   0.488366D+01 -0.939130D+00  0.377199D+00 -0.299289D+01 -0.443037D-01
      2  -0.939130D+00  0.448521D+00 -0.114882D+01 -0.443037D-01 -0.987612D+00
      3   0.377199D+00 -0.114882D+01  0.146515D+01 -0.328515D+01  0.119962D+01
               126           127           128           129           130 
      1  -0.328515D+01  0.236283D+01 -0.188775D+01 -0.462487D+00 -0.144069D+01
      2   0.119962D+01 -0.188775D+01  0.357746D+01 -0.115468D+00  0.178700D+01
      3  -0.883475D+01 -0.462487D+00 -0.115468D+00  0.377994D+00 -0.224818D+00
               131           132           133           134           135 
      1   0.178700D+01 -0.224818D+00  0.303463D+00 -0.527592D+00 -0.480648D-01
      2  -0.553330D+01 -0.269894D+00 -0.527592D+00  0.743039D+00 -0.802089D+00
      3  -0.269894D+00 -0.716834D+00 -0.480648D-01 -0.802089D+00  0.273250D+00
               136           137           138           139           140 
      1  -0.367041D+01 -0.237409D+01 -0.166576D+01 -0.155047D+01 -0.177051D+01
      2  -0.237409D+01 -0.254071D+01 -0.167384D+01 -0.177051D+01 -0.328216D+01
      3  -0.166576D+01 -0.167384D+01 -0.219933D+01 -0.114384D+01 -0.188129D+01
               141           142           143           144           145 
      1  -0.114384D+01 -0.216401D+01 -0.184301D+01 -0.185987D+01  0.500326D+00
      2  -0.188129D+01 -0.184301D+01 -0.267903D+01 -0.203406D+01  0.973380D+00
      3  -0.146495D+01 -0.185987D+01 -0.203406D+01 -0.275489D+01  0.612361D-01
               146           147           148           149           150 
      1   0.973380D+00  0.612361D-01  0.844138D+00  0.262227D+00 -0.296655D+00
      2   0.571349D+00 -0.404718D+00  0.262227D+00  0.774638D+01 -0.157378D+01
      3  -0.404718D+00 -0.402759D-01 -0.296655D+00 -0.157378D+01  0.158804D+01
               151           152           153           154           155 
      1  -0.332570D+00 -0.319065D+00 -0.372782D-01  0.555512D+01 -0.252706D+00
      2  -0.319065D+00 -0.386496D+01  0.161868D+01 -0.252706D+00  0.142731D+01
      3  -0.372782D-01  0.161868D+01 -0.135436D+01  0.191251D+01  0.370522D+00
               156           157           158           159           160 
      1   0.191251D+01 -0.114964D+01  0.726196D+00 -0.186521D+00  0.175943D+01
      2   0.370522D+00  0.726196D+00 -0.129323D+00 -0.136693D+00  0.131798D+00
      3   0.200517D+01 -0.186521D+00 -0.136693D+00 -0.445616D+00  0.141287D+01
               161           162           163           164           165 
      1   0.131798D+00  0.141287D+01 -0.418511D+01  0.188086D+01  0.308986D+01
      2   0.263747D+00  0.461410D+00  0.188086D+01 -0.229262D+01 -0.185283D+01
      3   0.461410D+00  0.232204D+01  0.308986D+01 -0.185283D+01 -0.327304D+01
               166           167           168           169           170 
      1   0.529234D+00 -0.119376D+01 -0.909450D+00  0.279297D+01 -0.158599D+01
      2  -0.119376D+01  0.186134D+01  0.102937D+01 -0.158599D+01  0.172584D+01
      3  -0.909450D+00  0.102937D+01  0.105048D+01 -0.292883D+01  0.241667D+01
               171           172           173           174           175 
      1  -0.292883D+01 -0.738228D+01  0.194511D+01  0.234536D+01  0.190781D+01
      2   0.241667D+01  0.194511D+01 -0.133638D+01 -0.777082D+00 -0.183995D+01
      3   0.492025D+01  0.234536D+01 -0.777082D+00 -0.174183D+01 -0.688786D+00
               176           177           178           179           180 
      1  -0.183995D+01 -0.688786D+00  0.640582D+01 -0.170712D+01 -0.256680D+01
      2   0.126669D+01  0.170135D+00 -0.170712D+01  0.995999D+00  0.908946D+00
      3   0.170135D+00  0.647208D+00 -0.256680D+01  0.908946D+00  0.229878D+01
               181           182           183           184           185 
      1  -0.247727D+01 -0.132295D+01 -0.991476D+00 -0.319694D+01 -0.164884D+01
      2  -0.132295D+01 -0.106242D+01 -0.940549D+00 -0.164884D+01 -0.312854D+01
      3  -0.991476D+00 -0.940549D+00 -0.120918D+01 -0.178029D+01 -0.203787D+01
               186           187           188           189           190 
      1  -0.178029D+01 -0.155912D+01 -0.107279D+01 -0.200677D+01 -0.253267D+00
      2  -0.203787D+01 -0.107279D+01 -0.196261D+01 -0.124765D+01  0.581073D+00
      3  -0.208531D+01 -0.200677D+01 -0.124765D+01 -0.275270D+01 -0.118491D+00
               191           192           193           194           195 
      1   0.581073D+00 -0.118491D+00  0.184926D+01 -0.161259D+01  0.731919D+00
      2   0.345023D+00 -0.420487D+00 -0.161259D+01  0.522872D+01 -0.318118D+01
      3  -0.420487D+00  0.330756D+00  0.731919D+00 -0.318118D+01  0.281247D+01
               196           197           198           199           200 
      1  -0.753706D+00  0.628975D+00 -0.127280D+01 -0.494390D+00  0.130102D+01
      2   0.628975D+00 -0.321215D+01  0.265639D+01  0.130102D+01  0.813963D+00
      3  -0.127280D+01  0.265639D+01 -0.348728D+01 -0.724589D+00 -0.245989D+00
               201           202           203           204           205 
      1  -0.724589D+00  0.156361D+01  0.109558D+01 -0.709839D-01 -0.206513D+01
      2  -0.245989D+00  0.109558D+01  0.528351D+01 -0.184699D+01  0.259012D+00
      3  -0.973180D-01 -0.709839D-01 -0.184699D+01  0.140920D+01  0.777599D+00
               206           207           208           209           210 
      1   0.259012D+00  0.777599D+00  0.613102D+00 -0.968775D+00  0.492511D+00
      2  -0.159196D+01  0.101524D+01 -0.968775D+00 -0.821154D-01 -0.170638D-01
      3   0.101524D+01 -0.650024D+00  0.492511D+00 -0.170638D-01  0.163864D+00
               211           212           213           214           215 
      1  -0.198226D+01 -0.529782D+00 -0.805248D-01  0.925063D+00 -0.177848D+00
      2  -0.529782D+00 -0.608348D+01  0.151551D+01 -0.177848D+00  0.194760D+01
      3  -0.805248D-01  0.151551D+01 -0.121049D+01 -0.265340D+00 -0.989177D+00
               216           217           218           219           220 
      1  -0.265340D+00  0.127179D+01  0.235418D+00 -0.517620D+00  0.976010D+00
      2  -0.989177D+00  0.235418D+00 -0.856913D+00  0.146026D+00  0.335275D-01
      3   0.652526D+00 -0.517620D+00  0.146026D+00 -0.526749D+00  0.304696D-01
               221           222           223           224           225 
      1   0.335275D-01  0.304696D-01 -0.207289D+01 -0.950845D+00  0.826522D+00
      2   0.106785D+01 -0.864775D+00 -0.950845D+00 -0.213439D+01  0.204096D+01
      3  -0.864775D+00  0.100485D+01  0.826522D+00  0.204096D+01 -0.718421D+01
               226           227           228           229           230 
      1   0.100952D+02  0.291975D+01  0.639611D+00  0.136679D+01  0.106925D+01
      2   0.291975D+01  0.188290D+01  0.179221D+00  0.106925D+01  0.809520D+00
      3   0.639611D+00  0.179221D+00  0.121698D+01  0.147832D+00  0.328471D+00
               231           232           233           234           235 
      1   0.147832D+00  0.168233D+01  0.560052D+00  0.110149D+01 -0.804134D+00
      2   0.328471D+00  0.560052D+00  0.688733D+00  0.567556D+00  0.782100D+00
      3   0.261532D+00  0.110149D+01  0.567556D+00  0.136768D+00  0.993152D+00
               236           237           238           239           240 
      1   0.782100D+00  0.993152D+00  0.251478D+01 -0.670428D+00 -0.433890D+00
      2  -0.281376D+01 -0.519450D+00 -0.670428D+00  0.486753D+01  0.140021D+01
      3  -0.519450D+00 -0.106710D+01 -0.433890D+00  0.140021D+01  0.153768D+01
               241           242           243 
      1   0.141939D+01 -0.201909D+00 -0.447347D+00
      2  -0.201909D+00  0.239687D+01  0.167378D+01
      3  -0.447347D+00  0.167378D+01  0.102258D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.104388D+02 -0.510287D+01  0.288151D+00 -0.263589D+01 -0.126458D+02
      2   0.139446D+02 -0.300320D+01  0.520784D+01 -0.551209D+01 -0.515500D+01
      3  -0.602816D+01 -0.307635D+01 -0.551426D+01  0.450084D+01 -0.402902D+01
                 6             7             8             9            10 
      1   0.436058D+01 -0.849767D+00  0.120991D+02  0.289938D+01 -0.103999D+02
      2  -0.186663D+01  0.208002D+00 -0.117359D+01  0.170358D+01 -0.312871D+02
      3   0.103469D+02 -0.493212D+01  0.124559D+02  0.151573D+00  0.431067D+01
                11            12            13            14            15 
      1   0.340952D+01  0.185472D+01  0.302454D+01  0.576487D+01 -0.782763D+01
      2   0.844452D+01  0.592682D+01  0.184070D+02  0.717936D+01 -0.459598D+01
      3  -0.801774D+01 -0.357531D+01  0.753559D+00  0.662598D+01 -0.121984D+02
                16            17            18            19            20 
      1   0.874932D+01  0.256642D-01  0.205648D+00  0.110137D+02 -0.424546D+01
      2   0.156520D+02 -0.445458D+01 -0.428634D+01  0.343878D+02 -0.564394D+01
      3  -0.360958D+01 -0.134032D+02  0.272488D+01 -0.475550D+01 -0.123813D+01
                21            22            23            24            25 
      1  -0.246263D+01 -0.816409D+01 -0.561738D+01  0.422132D+00 -0.994874D+01
      2   0.957231D+00 -0.166094D+02  0.542749D+01  0.405683D+01 -0.188947D+02
      3   0.122542D+01  0.108116D+02 -0.776433D-01 -0.204556D+01 -0.422799D+00
                26            27            28            29            30 
      1   0.754578D+01  0.272612D+01 -0.121267D+02  0.127754D+01  0.463788D+00
      2   0.489012D+01  0.420987D+01 -0.351316D+02  0.270059D+01 -0.821020D+01
      3  -0.264537D+00 -0.235423D+01  0.587953D+01  0.358014D+01  0.286399D+01
                31            32            33            34            35 
      1   0.286068D+01  0.324721D+01 -0.225319D+01  0.255020D+01  0.222116D+01
      2   0.837502D+01 -0.340649D+01  0.184401D+01 -0.445164D+02  0.353864D+01
      3   0.185596D+02 -0.232842D+01  0.165411D+01  0.911546D+01  0.907564D+00
                36            37            38            39            40 
      1  -0.114230D+01  0.100007D+02 -0.125445D+01 -0.150424D+01 -0.837705D+01
      2  -0.121500D+02  0.414946D+02 -0.429591D+01  0.138099D+02 -0.599291D+01
      3   0.122980D+01  0.162683D+01 -0.668277D+01 -0.196878D+01  0.741074D+01
                41            42            43            44            45 
      1   0.555545D+00 -0.225754D+01 -0.317001D+01  0.142780D+01 -0.282346D+00
      2  -0.137696D+01  0.115618D+01  0.150807D+02 -0.171620D+00  0.829153D+01
      3  -0.106406D+02  0.595639D+01 -0.646867D+01  0.426820D+01 -0.130662D+01
                46            47            48            49            50 
      1  -0.848347D+01 -0.155444D+01  0.717655D+01 -0.101258D+01  0.846123D+01
      2  -0.238775D+02  0.465709D+01 -0.175185D+02  0.288408D+01 -0.994208D+00
      3  -0.905015D+01  0.847822D+01  0.253917D+01  0.189367D+02  0.703826D+01
                51            52            53            54            55 
      1   0.308915D+01  0.400476D+01  0.134700D+02 -0.456287D+01  0.439634D+01
      2   0.283865D+01 -0.285100D+02 -0.487060D+00 -0.965962D+01  0.190558D+02
      3   0.154430D+01  0.702511D+00  0.443671D+01 -0.181002D+01  0.413706D+01
                56            57            58            59            60 
      1   0.181700D+01 -0.111153D+01 -0.193915D+01 -0.303391D+01 -0.468415D+01
      2  -0.445366D+01  0.180476D+02 -0.123130D+02  0.668635D+01 -0.113277D+02
      3  -0.163237D+02  0.457551D+00 -0.722355D+01  0.157134D+02 -0.396950D+01
                61            62            63            64            65 
      1   0.203872D+01  0.390916D-01  0.269128D+01  0.359546D+01 -0.342406D+01
      2   0.172295D+02 -0.596359D+01  0.169294D+02  0.163463D+02 -0.981430D+01
      3  -0.562428D+00 -0.783824D+01  0.495474D+01  0.274008D+01  0.267818D+01
                66            67            68            69            70 
      1  -0.364153D+01 -0.499719D+01 -0.359909D+01 -0.423251D+01 -0.608423D+01
      2  -0.593747D+01 -0.899776D+01 -0.162148D+02  0.572758D+01 -0.190622D+02
      3   0.653526D+01  0.131530D+02 -0.304535D+01  0.210938D+02  0.603834D+01
                71            72            73            74            75 
      1   0.491243D+00 -0.509389D+00 -0.221114D+00 -0.324717D+01 -0.763141D+01
      2   0.817287D+01 -0.335181D+01  0.448622D+01 -0.160323D+01  0.131755D+02
      3   0.199534D+02 -0.322838D+01  0.576091D+00 -0.509510D+01 -0.355190D+00
                76            77            78            79            80 
      1   0.444412D+00 -0.303178D+01  0.593354D+01 -0.556560D+01  0.111400D+02
      2   0.280260D+01 -0.745836D+01  0.988828D+00  0.301495D+01 -0.835949D+00
      3   0.545161D+00 -0.127385D+02  0.115723D+02 -0.361029D+00  0.111757D+02
                81            82            83            84            85 
      1   0.183927D+01  0.624036D+00  0.104327D+02  0.789293D+01  0.135757D+02
      2   0.724564D+01 -0.774436D-01 -0.197031D+01 -0.805050D+00 -0.337886D+01
      3   0.835482D+01  0.219851D+01 -0.129664D+02  0.211909D+01 -0.457607D+01
                86            87            88            89            90 
      1   0.485162D+01 -0.749739D+01  0.553690D+01 -0.227101D+01 -0.463119D+01
      2  -0.350293D+01  0.229788D+01 -0.729237D+01  0.297544D+01  0.300047D+01
      3   0.621866D+01 -0.382049D+01  0.335834D+01 -0.743401D+01 -0.993147D+01
                91            92            93            94            95 
      1   0.317790D+01 -0.312041D+01 -0.498246D+01  0.121348D+00  0.304269D+01
      2  -0.100673D+02 -0.952057D+00  0.751555D+01  0.712881D-02 -0.405284D+01
      3  -0.707011D+00 -0.197350D+02 -0.287528D+01 -0.103096D+02  0.163772D+01
                96            97            98            99           100 
      1  -0.125263D+01  0.338501D+01  0.935613D+01 -0.784543D+01  0.121905D+01
      2  -0.279158D+01 -0.302931D+01 -0.768261D+01  0.156307D+02  0.161999D+01
      3   0.605330D+01 -0.157576D+01  0.797611D+01  0.975221D+01  0.409966D+01
               101           102           103           104           105 
      1  -0.268756D+01 -0.222474D+01 -0.444398D+00 -0.771708D+00 -0.186988D+01
      2  -0.544607D+00  0.434659D+01  0.125676D+01  0.138887D-01  0.121291D+01
      3  -0.558288D+01 -0.864099D+00 -0.221815D+00 -0.157841D+01 -0.221260D+00
               106           107           108           109           110 
      1  -0.902387D+00  0.510326D+00  0.148500D+01  0.113103D+01  0.259858D+01
      2  -0.144856D+01  0.116029D+01 -0.364724D+01 -0.669242D+01  0.115202D+01
      3  -0.103643D+01  0.765209D+00 -0.433681D+00 -0.343330D+01  0.137957D+01
               111           112           113           114           115 
      1   0.399334D+01  0.718355D+00  0.130826D+01 -0.913453D+00  0.196302D+01
      2  -0.841002D+01  0.549667D+00 -0.167124D+01  0.800220D-01 -0.850267D+01
      3  -0.273809D+01  0.166564D+01 -0.539949D-01  0.734966D+00 -0.266791D+01
               116           117           118           119           120 
      1   0.266342D+01  0.647854D+01 -0.106593D+01  0.119057D+01 -0.396262D+00
      2   0.202452D+01 -0.156881D+02 -0.440957D+01  0.103247D+01  0.115218D+01
      3   0.170256D+01 -0.450942D+01  0.989291D+00 -0.176866D+01  0.705638D+00
               121           122           123           124           125 
      1   0.256739D+01 -0.706431D+00  0.700059D+00  0.182251D+01  0.490878D+01
      2   0.563632D+01 -0.290648D+00 -0.926196D+00 -0.355771D+01 -0.828294D+00
      3   0.104277D+01  0.445556D-01 -0.101514D+01  0.445816D+00 -0.110970D+01
               126           127           128           129           130 
      1  -0.275616D+01  0.323168D+00 -0.259905D+01  0.227910D+01 -0.130283D+01
      2   0.441932D+01  0.522788D+00  0.866724D-01  0.406684D+00  0.644671D+00
      3   0.130709D+01 -0.124073D+02  0.909587D+01  0.108253D+01  0.112626D+02
               131           132           133           134           135 
      1   0.195661D+01 -0.379699D+01  0.423737D+00 -0.807168D+00  0.138680D+01
      2   0.390316D+00 -0.519354D+00 -0.105292D+01  0.784386D+00 -0.449978D+00
      3  -0.121390D+02  0.502035D-02 -0.158549D+01  0.276057D+01 -0.116905D+01
               136           137           138           139           140 
      1  -0.258020D+01 -0.190406D+01 -0.526467D+01 -0.162776D+01 -0.223678D+01
      2  -0.121112D+01  0.992980D+00  0.335752D+01  0.218322D+00  0.123066D+01
      3   0.495075D+01 -0.103712D+01  0.116187D+01  0.269800D+01 -0.236860D+01
               141           142           143           144           145 
      1  -0.333941D+01 -0.336466D+01 -0.927755D+00 -0.572840D+01  0.909681D+00
      2   0.199180D+01 -0.366500D+00  0.171320D+01  0.286475D+01 -0.883090D+00
      3  -0.125387D+00  0.279948D+01 -0.816596D+00  0.132623D+01  0.372546D+01
               146           147           148           149           150 
      1   0.179651D+01 -0.975378D+00  0.112494D+01  0.118543D+02 -0.807305D+01
      2  -0.413472D+00  0.589320D+00 -0.539273D+00  0.670763D+00 -0.130612D+01
      3   0.193243D+01 -0.858801D+00  0.537226D+01  0.135253D+02 -0.317863D+01
               151           152           153           154           155 
      1  -0.442040D+00 -0.600062D+01  0.601502D+01 -0.441641D+01  0.274288D+01
      2  -0.660208D+00 -0.132328D+01  0.152434D+01 -0.141839D+02  0.421211D+00
      3  -0.312685D+01 -0.776337D+01  0.281295D+01  0.126660D+02 -0.739767D+00
               156           157           158           159           160 
      1  -0.359807D+01  0.162033D+01 -0.802557D+00 -0.327230D+00 -0.302550D+01
      2  -0.377864D+01  0.272085D+01 -0.109047D+01  0.811678D+00 -0.711886D+01
      3   0.441196D+01  0.318307D-01  0.118034D+01 -0.681443D+00  0.420045D+01
               161           162           163           164           165 
      1   0.105632D+01 -0.335564D+01 -0.390477D+01 -0.201092D+00  0.490343D+01
      2  -0.521903D+00 -0.438405D+01 -0.147747D+00  0.190386D+01  0.398932D+01
      3  -0.922276D+00  0.355186D+01 -0.394688D+01 -0.304511D+01  0.166042D+01
               166           167           168           169           170 
      1   0.720156D+00  0.429015D+00 -0.253245D+01  0.386965D+01 -0.602018D+00
      2  -0.677425D+00 -0.463788D+00 -0.637836D+00 -0.191093D+01 -0.218198D+01
      3   0.105430D+01  0.158239D+01 -0.399762D+00  0.434457D+01  0.902461D+00
               171           172           173           174           175 
      1  -0.719857D+01 -0.346140D+01  0.880901D+00  0.271350D+01  0.142201D+01
      2  -0.601969D+01 -0.124904D+02  0.431694D+01  0.108117D+02  0.371104D+01
      3  -0.916137D+00 -0.119274D+00 -0.599543D+01 -0.107759D+01 -0.360019D+01
               176           177           178           179           180 
      1  -0.460731D+00 -0.159417D+01  0.308434D+01  0.238047D+00 -0.279015D+01
      2  -0.152527D+01 -0.362315D+01  0.106800D+02 -0.409823D+01 -0.115337D+02
      3   0.352941D+01 -0.147620D+00 -0.792361D+00  0.333496D+01  0.127322D+01
               181           182           183           184           185 
      1   0.182045D+01  0.191265D+01  0.113309D+01  0.195275D+01  0.544235D+01
      2   0.180888D+01  0.231834D+01  0.483818D+01  0.292421D+01  0.657132D+01
      3  -0.605855D+01 -0.581369D+01 -0.433115D+01 -0.556616D+01 -0.147754D+02
               186           187           188           189           190 
      1   0.147034D+01  0.206046D+01  0.422690D+01  0.206359D+01 -0.308663D+00
      2   0.733524D+01  0.391183D+01  0.396401D+01  0.873930D+01  0.100178D+01
      3  -0.874945D+01 -0.442084D+01 -0.921881D+01 -0.591772D+01  0.262260D+01
               191           192           193           194           195 
      1   0.101867D+00 -0.128541D+00 -0.112755D+00 -0.171911D+01 -0.272196D+01
      2   0.166277D+01 -0.142575D+00 -0.917362D-01  0.105103D+02 -0.100995D+02
      3   0.707426D+00 -0.137978D+01 -0.129335D+01  0.175114D+02 -0.108685D+02
               196           197           198           199           200 
      1   0.862349D+00  0.175217D+01  0.244429D+01  0.771683D-01 -0.136812D+01
      2   0.187876D+01 -0.905167D+01  0.114768D+02 -0.481310D+00  0.137767D+01
      3   0.251933D+00 -0.119069D+02  0.869229D+01  0.236902D+00 -0.252177D+00
               201           202           203           204           205 
      1  -0.406409D+00 -0.259045D+01 -0.589368D+01 -0.146807D+01 -0.525249D+01
      2  -0.428417D+00  0.241977D+01  0.110010D+01  0.602345D+00 -0.306077D+01
      3   0.265123D+00  0.289496D+01 -0.208583D+01 -0.115002D+00 -0.157103D+01
               206           207           208           209           210 
      1   0.255620D+01 -0.114973D+01  0.132119D+01  0.861033D-02 -0.260348D-01
      2   0.411109D-01  0.384919D+00  0.224513D+01 -0.519740D+00  0.479227D+00
      3   0.622582D+00 -0.972993D+00  0.190353D+01  0.626570D+00 -0.383513D+00
               211           212           213           214           215 
      1  -0.741479D+00  0.668379D+00 -0.365350D+01 -0.203041D+01  0.288004D+00
      2  -0.391280D+00  0.359918D+01 -0.243851D+01 -0.373979D+01 -0.229851D+01
      3   0.631908D+01  0.129487D+02 -0.336647D+01 -0.152022D+01 -0.407453D+01
               216           217           218           219           220 
      1   0.609597D+00 -0.157424D+00 -0.191720D+00  0.137593D+01 -0.105333D+01
      2   0.887752D+00 -0.124231D+01  0.695806D+00 -0.182169D+01  0.158226D+01
      3   0.209123D+01 -0.496108D+00  0.254854D+01 -0.168423D+01  0.824284D+00
               221           222           223           224           225 
      1   0.808139D+00 -0.196299D+01 -0.180449D+01 -0.185567D+01  0.123466D+02
      2  -0.281626D+01  0.321101D+01  0.342081D+00  0.689618D+01 -0.244847D+02
      3  -0.406997D+01  0.277988D+01 -0.297244D+00  0.566892D+01 -0.713630D+01
               226           227           228           229           230 
      1  -0.227750D+01 -0.714013D+00 -0.235291D+01 -0.702117D+00 -0.735917D+00
      2   0.607685D+01  0.175674D+01  0.688962D+01  0.137663D+01  0.156869D+01
      3   0.375262D+01 -0.545906D+01  0.549457D+00  0.575472D+00 -0.124523D+01
               231           232           233           234           235 
      1  -0.133382D+01 -0.112260D+01  0.897011D-02 -0.365307D+00 -0.645071D+00
      2   0.138786D+01  0.314086D+01  0.175133D+01  0.110570D+01  0.295253D+01
      3  -0.104245D+01  0.324883D+00 -0.229951D+01 -0.908365D+00 -0.642610D+01
               236           237           238           239           240 
      1   0.344515D+01  0.263231D+01  0.178802D+01 -0.503633D+01 -0.429587D+01
      2  -0.240430D+01 -0.253620D+01 -0.101267D+01  0.507087D+01  0.458975D+01
      3   0.119037D+02  0.412585D+01  0.753239D+01 -0.193643D+02 -0.603301D+01
               241           242           243 
      1   0.224722D+00 -0.366235D+01 -0.297083D+01
      2  -0.156905D+01  0.614489D+01  0.347818D+01
      3   0.336898D+01 -0.987918D+01 -0.762852D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.135736D+02 -0.199908D+01  0.752497D+01 -0.542369D+01  0.311826D+00
      2   0.594804D+01 -0.547716D+01 -0.197403D+01 -0.180235D+01 -0.168500D+02
      3  -0.195216D+02  0.747625D+01 -0.555095D+01  0.722604D+01  0.165382D+02
      4  -0.127783D+01 -0.276831D+01 -0.202224D+02 -0.266312D+01  0.114164D+02
      5   0.144896D+02 -0.117295D+02 -0.164738D+02 -0.102856D+02 -0.818890D+01
      6  -0.141070D+02  0.123003D+02  0.103936D+02  0.719687D+01  0.140055D+02
                 6             7             8             9            10 
      1  -0.172157D+02  0.622268D+01 -0.192890D+02 -0.188409D+01 -0.164720D+02
      2   0.224122D+02 -0.144052D+01  0.282642D+02  0.263414D+01  0.668712D+01
      3  -0.519649D+01 -0.478216D+01 -0.897521D+01 -0.750049D+00  0.978485D+01
      4  -0.327743D+01 -0.230231D+02 -0.625652D+00  0.125566D+02  0.361576D+01
      5   0.771441D+01 -0.183308D+02  0.128711D+02  0.125700D+02 -0.270865D+02
      6   0.139586D+01  0.118978D+02 -0.274788D+01 -0.680572D+01  0.860770D+01
                11            12            13            14            15 
      1   0.406303D+01 -0.192752D+02  0.971136D+01  0.104545D+02  0.144683D+02
      2  -0.120508D+01  0.559145D+01 -0.471792D+01  0.110664D+01 -0.732365D+01
      3  -0.285794D+01  0.136837D+02 -0.499344D+01 -0.115611D+02 -0.714466D+01
      4   0.714832D+01  0.127945D+02  0.824216D+01 -0.224234D+02  0.138210D+02
      5   0.102119D+02  0.331392D+01  0.114153D+02  0.185619D+02 -0.747504D+01
      6  -0.912036D+01 -0.274952D+01  0.687556D+00 -0.528170D-01 -0.757476D+01
                16            17            18            19            20 
      1  -0.214745D+02  0.172056D+02 -0.127871D+01  0.274092D+02  0.377454D+01
      2   0.292551D+01 -0.156753D+02 -0.436545D+01 -0.889552D+01 -0.635352D+01
      3   0.185490D+02 -0.153031D+01  0.564416D+01 -0.185136D+02  0.257898D+01
      4   0.155797D+02  0.984423D+01 -0.719231D+01 -0.283615D+00 -0.443563D+01
      5   0.133981D+02 -0.881065D+01 -0.264749D+00  0.186411D+01 -0.938488D+00
      6  -0.694098D+01 -0.130123D+01  0.167200D+01 -0.348648D+01  0.277154D+01
                21            22            23            24            25 
      1   0.513946D+01  0.413510D+01 -0.338237D+01 -0.737351D+01  0.233662D+02
      2   0.441436D+01 -0.473628D+01 -0.672482D+01 -0.400302D+00  0.585049D+01
      3  -0.955382D+01  0.601180D+00  0.101072D+02  0.777382D+01 -0.292167D+02
      4  -0.262335D+01 -0.774316D+01 -0.357043D+01  0.226751D+01 -0.100750D+02
      5  -0.421464D+01 -0.379300D+01  0.142431D+00  0.581182D+01 -0.137057D+02
      6   0.317885D+01 -0.413190D+00 -0.541569D+01  0.285580D+01  0.386303D+01
                26            27            28            29            30 
      1  -0.107133D+02  0.186443D+02 -0.104473D+03  0.937759D+01 -0.128162D+02
      2   0.612807D+01  0.897065D+01  0.412122D+02 -0.592796D+01  0.472242D+01
      3   0.458524D+01 -0.276150D+02  0.632608D+02 -0.344963D+01  0.809375D+01
      4   0.589012D+01  0.787641D+01  0.167036D+02 -0.117134D+02  0.823267D+00
      5   0.955791D+01 -0.169526D+02 -0.532371D+01 -0.110196D+01 -0.103623D+02
      6   0.404718D+00 -0.393835D+00  0.728708D+01  0.283891D+01  0.228102D+01
                31            32            33            34            35 
      1   0.403962D+02 -0.590211D+01  0.263835D+01 -0.431417D+02 -0.158718D+01
      2  -0.189766D+02  0.378826D+01  0.385177D+00  0.109476D+02  0.351594D+01
      3  -0.214197D+02  0.211386D+01 -0.302353D+01  0.321942D+02 -0.192876D+01
      4  -0.114244D+02 -0.390256D+00  0.134463D+01  0.839155D+01 -0.372279D+01
      5   0.749893D+01  0.289649D+01  0.155974D+01 -0.962850D+01 -0.110001D+01
      6   0.165148D+01  0.902060D+01 -0.125591D+01  0.656246D+00  0.391318D+01
                36            37            38            39            40 
      1  -0.304962D+02  0.151784D+03 -0.234665D+02  0.317514D+02 -0.184453D+02
      2   0.124317D+00 -0.664221D+02  0.104724D+02 -0.115504D+02  0.429172D+01
      3   0.303718D+02 -0.853623D+02  0.129941D+02 -0.202011D+02  0.141536D+02
      4   0.321190D+01 -0.438605D+02  0.139703D+02 -0.593104D+01  0.163470D+02
      5  -0.149235D+02  0.262461D+02 -0.180909D+01  0.209491D+02  0.377397D+01
      6   0.515979D+01 -0.116288D+02 -0.156720D+01 -0.410976D+01 -0.185108D+01
                41            42            43            44            45 
      1   0.110311D+02 -0.950787D+01  0.404523D+02 -0.101116D+02  0.107837D+02
      2  -0.895480D+01  0.347473D+01 -0.182562D+02  0.857108D+01 -0.807493D+01
      3  -0.207627D+01  0.603314D+01 -0.221961D+02  0.154054D+01 -0.270875D+01
      4   0.905303D+01 -0.632911D+01 -0.657916D+01 -0.764953D+01 -0.451761D+01
      5  -0.844201D+01 -0.161945D+01  0.291805D+02 -0.508487D+01  0.801244D+01
      6   0.597126D+01  0.396761D+01 -0.964380D+01  0.537001D+01 -0.171482D+00
                46            47            48            49            50 
      1  -0.132440D+03  0.357048D+02 -0.276267D+02  0.450958D+02 -0.222081D+02
      2   0.611330D+02 -0.171968D+02  0.159148D+02 -0.289420D+02  0.397398D+01
      3   0.713072D+02 -0.185080D+02  0.117120D+02 -0.161538D+02  0.182341D+02
      4   0.615688D+02 -0.312590D+02  0.176425D+02 -0.352833D+02 -0.140230D+02
      5  -0.460372D+02  0.137665D+02 -0.262693D+02  0.260113D+02  0.340401D+00
      6   0.178494D+02 -0.670612D+01  0.257742D+01  0.897466D+00  0.568953D+01
                51            52            53            54            55 
      1   0.157198D+02 -0.546768D+02  0.149300D+02 -0.182726D+02  0.149253D+03
      2  -0.128577D+02  0.270707D+02 -0.348649D+01  0.610871D+01 -0.732285D+02
      3  -0.286207D+01  0.276061D+02 -0.114435D+02  0.121639D+02 -0.760244D+02
      4   0.654187D+00  0.331390D+02 -0.133098D+01  0.801277D+01 -0.620711D+02
      5   0.302009D+01 -0.153595D+02  0.578061D+01 -0.151525D+02  0.407813D+02
      6  -0.602475D+01  0.165716D+01  0.105492D+01  0.610156D+01 -0.927597D+01
                56            57            58            59            60 
      1  -0.374603D+02  0.288271D+02 -0.842174D+02  0.278643D+02 -0.144035D+02
      2   0.139853D+02 -0.179950D+02  0.345740D+02 -0.217964D+01  0.847915D+01
      3   0.234750D+02 -0.108321D+02  0.496434D+02 -0.256847D+02  0.592433D+01
      4   0.388884D+02 -0.137178D+02  0.646047D+02 -0.446082D+02  0.166528D+02
      5  -0.117444D+02  0.310586D+02 -0.259586D+02  0.141061D+02 -0.166587D+02
      6   0.482030D+01 -0.593512D+01  0.104694D+02 -0.737182D+01  0.116855D+02
                61            62            63            64            65 
      1   0.535269D+02 -0.711188D+01  0.262274D+02 -0.905334D+01  0.482170D+00
      2  -0.313789D+02  0.492339D+01 -0.216647D+02  0.301589D+01  0.242351D+01
      3  -0.221480D+02  0.218849D+01 -0.456274D+01  0.603744D+01 -0.290568D+01
      4  -0.221964D+02  0.123125D+02 -0.212722D+02  0.161666D-01 -0.776657D+01
      5   0.514129D+02 -0.198106D+02  0.374114D+02  0.348240D+02 -0.203636D+02
      6  -0.100472D+02  0.111074D+02 -0.100028D+02 -0.107925D+02  0.284356D+01
                66            67            68            69            70 
      1   0.292890D+02 -0.416694D+01 -0.489073D+01 -0.281749D+02  0.408222D+02
      2  -0.117556D+02  0.621109D+01  0.499217D+01  0.189465D+02 -0.162259D+02
      3  -0.175334D+02 -0.204415D+01 -0.101443D+00  0.922845D+01 -0.245963D+02
      4  -0.227050D+02 -0.146461D+02  0.632246D+01 -0.264846D+02 -0.242670D+02
      5  -0.682609D+01 -0.194967D+02 -0.288832D+02  0.414559D+01 -0.187847D+02
      6  -0.345581D+00 -0.132021D+01  0.104200D+02 -0.108541D+02  0.262659D+01
                71            72            73            74            75 
      1  -0.298730D+02 -0.102957D+02 -0.169911D+02 -0.134788D+02  0.207022D+02
      2   0.209688D+02  0.462602D+01  0.102210D+02  0.723340D+01  0.307965D+01
      3   0.890422D+01  0.566968D+01  0.677007D+01  0.624541D+01 -0.237819D+02
      4  -0.242090D+02  0.833266D+01 -0.227177D+02 -0.890358D+01  0.134940D+02
      5   0.726566D+01 -0.524580D+01  0.240866D+02  0.128527D+02 -0.267148D+01
      6  -0.119581D+02  0.277213D+01  0.109723D+02  0.979635D+01  0.282182D+01
                76            77            78            79            80 
      1  -0.129451D+02 -0.921920D+01  0.130831D+02  0.123897D+02  0.775334D+01
      2   0.995153D+01  0.246963D+01 -0.144005D+02  0.417480D+01 -0.717199D+01
      3   0.299355D+01  0.674957D+01  0.131735D+01 -0.165645D+02 -0.581348D+00
      4  -0.664284D+01  0.217995D+02 -0.934763D+01  0.851973D+01 -0.490052D+01
      5   0.158628D+02 -0.160086D+02 -0.614678D+01  0.164578D+01 -0.499906D+01
      6   0.122343D+01 -0.125052D+02  0.291501D+01  0.432905D+01 -0.108271D+01
                81            82            83            84            85 
      1   0.140163D+02  0.425137D+01 -0.116672D+02  0.451748D+01 -0.812442D+01
      2  -0.370700D+01 -0.683872D+01  0.182410D+02 -0.122389D+02  0.111076D+02
      3  -0.103093D+02  0.258735D+01 -0.657385D+01  0.772146D+01 -0.298318D+01
      4  -0.600982D+00 -0.501584D+01 -0.491617D+01 -0.113475D+02  0.205180D+00
      5  -0.898351D+00 -0.584603D+01 -0.121900D+02 -0.111025D+02 -0.123705D+02
      6   0.264576D+01 -0.557251D+01 -0.136710D+02 -0.134020D+02 -0.939841D+01
                86            87            88            89            90 
      1   0.355753D+01 -0.359814D+01  0.102532D+02 -0.441874D+01 -0.128034D+02
      2  -0.729830D+00 -0.105375D+00 -0.181754D+02 -0.272181D+01  0.969672D+01
      3  -0.282770D+01  0.370352D+01  0.792216D+01  0.714055D+01  0.310668D+01
      4   0.661048D+01 -0.102346D+02 -0.115906D+02 -0.158183D+02 -0.802268D+01
      5  -0.484399D+01  0.244077D+01 -0.138059D+02 -0.220078D+01  0.369969D+01
      6  -0.187538D+01 -0.155384D+01 -0.139068D+02 -0.459151D+00  0.181787D+01
                91            92            93            94            95 
      1  -0.564579D+02 -0.284856D+02 -0.137924D+02 -0.118163D+02  0.202306D+02
      2   0.235619D+02  0.235603D+02  0.110064D+02  0.140940D+02 -0.729400D+01
      3   0.328960D+02  0.492533D+01  0.278592D+01 -0.227771D+01 -0.129366D+02
      4  -0.241246D+02  0.159609D+02 -0.555020D+01  0.217673D+02  0.158701D+02
      5  -0.123682D+02 -0.265798D+01  0.121326D+02 -0.367187D+01 -0.114428D+02
      6  -0.580803D+01  0.118757D+01  0.624847D+01 -0.150899D+01 -0.104792D+02
                96            97            98            99           100 
      1   0.307151D+01 -0.224714D+02  0.235116D+00  0.182080D+02  0.473020D+02
      2  -0.780290D+01  0.115325D+02 -0.115172D+02 -0.389896D+01 -0.249229D+02
      3   0.473139D+01  0.109389D+02  0.112821D+02 -0.143091D+02 -0.223791D+02
      4  -0.932852D+01 -0.876922D+01 -0.934859D+01 -0.962499D+01  0.337697D+02
      5  -0.550109D+01  0.456786D+01 -0.113973D+02  0.285113D+02 -0.333747D+02
      6  -0.423422D+00  0.205435D+01 -0.693872D+01  0.134646D+02 -0.131852D+02
               101           102           103           104           105 
      1   0.109931D+02 -0.141722D+02  0.857879D+01  0.542541D+01 -0.245707D+01
      2  -0.234633D+01  0.100210D+02 -0.138434D+01  0.261783D+01  0.170169D+01
      3  -0.864680D+01  0.415121D+01 -0.719445D+01 -0.804324D+01  0.755388D+00
      4   0.219615D+02 -0.140587D+02  0.175198D+02  0.124680D+02 -0.703481D+01
      5  -0.120123D+02  0.210452D+02 -0.883981D+01 -0.679639D+01  0.613540D+01
      6  -0.930302D+01  0.866623D+01 -0.740005D+01 -0.476905D+01  0.574182D+01
               106           107           108           109           110 
      1  -0.933700D+01 -0.218970D+01  0.371902D+01 -0.483158D+01  0.531269D+01
      2   0.675800D+01  0.250383D+01 -0.629440D+01 -0.162829D+01 -0.340383D+01
      3   0.257900D+01 -0.314133D+00  0.257537D+01  0.645988D+01 -0.190885D+01
      4  -0.868332D+01 -0.530749D+01  0.861652D+01 -0.230187D+00 -0.122337D+01
      5   0.160277D+02  0.708933D+01 -0.134340D+02 -0.611922D+00 -0.110955D+01
      6   0.658539D+01  0.509892D+01 -0.725310D+01 -0.430582D+01  0.339200D+01
               111           112           113           114           115 
      1  -0.148890D+02  0.164477D+01 -0.407957D+01  0.260711D+00 -0.102699D+02
      2  -0.268790D+01 -0.142731D+01  0.102346D+01 -0.113266D+01  0.112228D+01
      3   0.175769D+02 -0.217455D+00  0.305610D+01  0.871951D+00  0.914760D+01
      4  -0.268251D+01  0.179474D+01 -0.124443D+01 -0.678794D+00 -0.297761D+01
      5  -0.261785D+01 -0.154495D+01  0.659911D+00  0.502346D+00  0.249156D+01
      6  -0.768781D+01  0.164458D+01 -0.165752D+01  0.677677D+01 -0.193244D+01
               116           117           118           119           120 
      1   0.453036D+01 -0.250549D+02 -0.157099D+01  0.389006D+00 -0.163994D+01
      2  -0.109722D+01 -0.900091D+01 -0.626759D+01  0.419473D+00 -0.498400D+01
      3  -0.343314D+01  0.340558D+02  0.783858D+01 -0.808479D+00  0.662394D+01
      4  -0.370907D+01  0.150690D+01 -0.444119D+00  0.392408D+01 -0.781139D+00
      5   0.331881D+01 -0.139461D+02  0.792301D+01 -0.203938D+01  0.130781D+02
      6   0.754171D+01 -0.155646D+02 -0.640531D+00  0.897608D+00  0.515129D-01
               121           122           123           124           125 
      1   0.530389D+01 -0.511926D+01  0.379855D+01 -0.694534D+01  0.167581D+01
      2  -0.195061D+01  0.330152D+00  0.308681D+01 -0.677963D+01  0.352969D+01
      3  -0.335328D+01  0.478911D+01 -0.688536D+01  0.137250D+02 -0.520551D+01
      4   0.256613D+01 -0.103884D+01  0.318450D+01  0.721756D+00  0.292256D+01
      5  -0.252194D+01  0.383367D+01 -0.314494D+01  0.171164D+02 -0.348758D+01
      6   0.153356D+01 -0.135846D+01  0.719985D+01  0.597264D+00  0.570747D+01
               126           127           128           129           130 
      1  -0.268412D+02 -0.838828D+01  0.168629D+02  0.276649D+00  0.883312D+01
      2  -0.206719D+02  0.115787D+02 -0.240182D+02  0.845563D+00 -0.126709D+02
      3   0.475132D+02 -0.319041D+01  0.715532D+01 -0.112221D+01  0.383778D+01
      4  -0.210335D+01 -0.554830D+01  0.383375D+01  0.185576D+01  0.677599D+01
      5   0.245059D+02 -0.316275D+00  0.144766D+01  0.135620D+01  0.192754D+01
      6  -0.711255D+00  0.913060D+00  0.557899D+00 -0.244193D+01  0.902601D+00
               131           132           133           134           135 
      1  -0.245661D+02 -0.485215D+00 -0.248541D+01  0.390911D+01 -0.329302D+01
      2   0.369673D+02  0.607774D+00  0.331988D+01 -0.498371D+01  0.302234D+01
      3  -0.124012D+02 -0.122559D+00 -0.834466D+00  0.107460D+01  0.270678D+00
      4  -0.225999D+00  0.121326D+01  0.528008D+00  0.673805D+00  0.737056D+00
      5   0.318338D+00  0.589692D+00  0.284727D+01  0.114637D+01 -0.711388D+00
      6   0.874791D+00  0.614886D+01 -0.348417D+00  0.638063D+01 -0.173692D+01
               136           137           138           139           140 
      1   0.861724D+01  0.137259D+00  0.132168D+01  0.152027D+01 -0.616287D+01
      2   0.182579D+01  0.736039D+01  0.247737D+01  0.431108D+01  0.151190D+02
      3  -0.104430D+02 -0.749765D+01 -0.379906D+01 -0.583135D+01 -0.895617D+01
      4   0.209801D+02  0.201932D+02  0.117470D+02  0.152092D+02  0.181956D+02
      5   0.126783D+02  0.973144D+01  0.127921D+02  0.677985D+01  0.940802D+01
      6   0.997435D+01  0.107993D+02  0.114940D+02  0.767365D+01  0.130142D+02
               141           142           143           144           145 
      1  -0.333158D+01  0.507531D+00 -0.545551D+01 -0.342775D+01 -0.296472D+01
      2   0.670008D+01  0.269682D+01  0.896971D+01  0.151745D+01  0.395065D+01
      3  -0.336850D+01 -0.320435D+01 -0.351420D+01  0.191029D+01 -0.985933D+00
      4   0.104586D+02  0.128593D+02  0.144536D+02  0.131322D+02 -0.117574D+01
      5   0.728983D+01  0.118916D+02  0.103364D+02  0.139135D+02  0.912692D-01
      6   0.104380D+02  0.108674D+02  0.142728D+02  0.158485D+02 -0.496408D-01
               146           147           148           149           150 
      1  -0.516820D+01  0.760643D+00 -0.359467D+01 -0.239068D+02  0.382401D+01
      2   0.640711D+01 -0.146219D+01  0.325293D+01  0.464213D+02 -0.113501D+02
      3  -0.123892D+01  0.701547D+00  0.341735D+00 -0.225146D+02  0.752613D+01
      4   0.533302D+01  0.415347D+00  0.672691D+01 -0.189307D+02  0.311722D+01
      5   0.166599D+01  0.233201D+01  0.160722D+01  0.520976D+01 -0.482377D+01
      6  -0.985060D+00  0.956893D-01 -0.110507D+01 -0.135769D+01  0.814227D+01
               151           152           153           154           155 
      1   0.249232D+01  0.114907D+02 -0.418465D+01 -0.944373D+01 -0.516259D+01
      2  -0.158958D+01 -0.217129D+02  0.731903D+01 -0.234478D+01  0.603064D+01
      3  -0.902738D+00  0.102222D+02 -0.313438D+01  0.117885D+02 -0.868048D+00
      4  -0.211397D+01  0.968658D+01 -0.479926D+01  0.132558D+02 -0.519213D+00
      5   0.205509D+01 -0.537860D+01  0.346184D+01  0.602404D+01  0.501892D+00
      6  -0.571380D+00  0.708952D+01 -0.684781D+01  0.493612D+01  0.391835D+01
               156           157           158           159           160 
      1  -0.110447D+02  0.640267D+00 -0.190394D+01  0.338229D+01 -0.843893D+01
      2  -0.813417D+00  0.191693D+01  0.226216D+01 -0.647185D+00 -0.775536D+00
      3   0.118581D+02 -0.255719D+01 -0.358216D+00 -0.273510D+01  0.921447D+01
      4   0.619278D+01 -0.633913D-01  0.131617D+01  0.405043D+00  0.802317D+01
      5   0.349098D+01  0.499962D+00  0.174730D+01  0.582904D+00  0.579165D+01
      6   0.602056D+01  0.191862D+01 -0.152765D+01  0.132758D+01  0.296659D+01
               161           162           163           164           165 
      1   0.172123D+00 -0.963166D+01  0.107795D+02  0.626644D+00 -0.181816D+01
      2  -0.646186D+00 -0.261806D+01 -0.104275D+02 -0.185431D+01  0.760177D+01
      3   0.474063D+00  0.122497D+02 -0.351969D+00  0.122766D+01 -0.578361D+01
      4   0.152288D+00  0.242886D+01 -0.177622D+02  0.152135D+02  0.146930D+02
      5  -0.171198D+01 -0.101596D-01 -0.228628D+02  0.117093D+02  0.224099D+02
      6   0.405022D+01  0.633945D+01  0.122268D+02 -0.113820D+02 -0.137037D+02
               166           167           168           169           170 
      1   0.695120D+00 -0.310282D+01 -0.194109D+01 -0.387886D+01 -0.343511D+01
      2  -0.169292D+01  0.576032D+01  0.689428D+00  0.806876D+01 -0.288927D+00
      3   0.997797D+00 -0.265750D+01  0.125166D+01 -0.418990D+01  0.372403D+01
      4   0.923834D+01 -0.101176D+02 -0.736619D+01  0.150077D+02 -0.114626D+02
      5   0.520073D+01 -0.685255D+01 -0.589238D+01  0.214591D+02 -0.127200D+02
      6  -0.706192D+01  0.746626D+01  0.946930D+01 -0.124439D+02  0.141883D+02
               171           172           173           174           175 
      1  -0.622235D+01  0.659564D+02 -0.132076D+02 -0.193482D+02 -0.128805D+02
      2  -0.950300D+01 -0.311611D+02  0.354062D+01  0.827704D+01  0.291338D+01
      3   0.157254D+02 -0.347953D+02  0.966699D+01  0.110712D+02  0.996710D+01
      4  -0.151858D+02 -0.224453D+02  0.148658D+02  0.820652D+01  0.178112D+02
      5  -0.269599D+02 -0.197650D+02  0.627946D+01  0.165907D+02  0.548224D+01
      6   0.205800D+02  0.454479D+01 -0.136117D+01 -0.330146D+01 -0.163480D+01
               176           177           178           179           180 
      1   0.884672D+01  0.561585D+01 -0.430226D+02  0.105040D+02  0.154326D+02
      2  -0.195917D+01 -0.176358D+01  0.205121D+02 -0.364168D+01 -0.909253D+01
      3  -0.688755D+01 -0.385227D+01  0.225105D+02 -0.686229D+01 -0.634003D+01
      4  -0.113222D+02 -0.307845D+01  0.169406D+02 -0.100998D+02 -0.806683D+01
      5  -0.216099D+01 -0.490516D+01  0.234020D+02 -0.725619D+01 -0.200981D+02
      6   0.714878D+00  0.422102D+01 -0.481048D+01  0.437984D+01  0.471926D+01
               181           182           183           184           185 
      1   0.206016D+02  0.983604D+01  0.725778D+01  0.232239D+02  0.834005D+01
      2  -0.127053D+02 -0.690436D+01 -0.669951D+01 -0.148203D+02 -0.567748D+01
      3  -0.789635D+01 -0.293168D+01 -0.558275D+00 -0.840352D+01 -0.266257D+01
      4   0.940896D+01  0.100668D+02  0.765001D+01  0.138869D+02  0.227144D+02
      5   0.103960D+02  0.896214D+01  0.122973D+02  0.157724D+02  0.145853D+02
      6   0.294323D+01  0.145751D+01  0.110013D+01  0.227624D+01  0.485101D+01
               186           187           188           189           190 
      1   0.104684D+02  0.112690D+02  0.734769D+01  0.894538D+01  0.152313D+01
      2  -0.105559D+02 -0.100942D+02 -0.804310D+01 -0.118668D+02 -0.115089D+00
      3   0.874263D-01 -0.117485D+01  0.695407D+00  0.292144D+01 -0.140804D+01
      4   0.140185D+02  0.841992D+01  0.137433D+02  0.852483D+01 -0.331156D+01
      5   0.164143D+02  0.181418D+02  0.997571D+01  0.210747D+02 -0.189428D-01
      6   0.472724D+01  0.110846D+01  0.572750D+01  0.237776D+01 -0.176492D+01
               191           192           193           194           195 
      1  -0.652759D+01  0.273370D+01 -0.990072D+01 -0.833065D+01  0.771558D+01
      2   0.406665D+01 -0.105682D+01  0.307297D+01  0.136694D+02 -0.480302D+01
      3   0.246094D+01 -0.167688D+01  0.682775D+01 -0.533880D+01 -0.291256D+01
      4   0.238612D+01  0.484152D+00  0.150460D+02 -0.327883D+02  0.199712D+02
      5   0.107024D+00  0.183226D+01 -0.711037D+01  0.196861D+02 -0.181902D+02
      6  -0.144261D+01  0.102578D+01  0.451671D+01 -0.174110D+02  0.148926D+02
               196           197           198           199           200 
      1   0.444198D+01  0.828281D+01 -0.477670D+01 -0.961965D+00  0.165778D+01
      2  -0.290934D+01 -0.560008D+01 -0.159546D+01 -0.447340D+00  0.471024D-01
      3  -0.153264D+01 -0.268273D+01  0.637216D+01  0.140931D+01 -0.170488D+01
      4  -0.609072D+01  0.207475D+02 -0.162811D+02  0.310087D+01  0.496150D+01
      5   0.117912D+02 -0.163883D+02  0.220435D+02 -0.133520D+01 -0.212084D+01
      6  -0.385034D+01  0.145539D+02 -0.144139D+02 -0.223337D+01 -0.889353D+00
               201           202           203           204           205 
      1  -0.135704D+01  0.244959D+01 -0.116891D+02  0.637007D+01 -0.115355D+01
      2   0.553730D+00 -0.177010D+00  0.103559D+02 -0.191931D+01  0.358464D+01
      3   0.803314D+00 -0.227258D+01  0.133326D+01 -0.445076D+01 -0.243109D+01
      4  -0.118198D+01  0.487246D+01  0.830917D+01 -0.340177D+01 -0.707969D+00
      5   0.172098D+01 -0.272189D+01 -0.492494D+01  0.325600D+01  0.201290D+01
      6   0.520442D+00 -0.118353D+01 -0.111579D+02  0.690350D+01  0.202776D+01
               206           207           208           209           210 
      1   0.520911D+01 -0.208441D+01 -0.710912D+00 -0.147499D+01  0.623181D+00
      2  -0.246597D+01  0.711571D+00  0.235051D+01  0.930127D+00 -0.300914D+00
      3  -0.274315D+01  0.137284D+01 -0.163960D+01  0.544866D+00 -0.322267D+00
      4  -0.160179D+01  0.896939D+00 -0.164565D+01  0.485753D+01 -0.138480D+01
      5   0.223933D+01 -0.820975D+00  0.926417D+00 -0.759366D+00  0.690356D+00
      6   0.509670D+01 -0.427266D+01 -0.116906D+01  0.102140D+01 -0.209130D+00
               211           212           213           214           215 
      1  -0.514166D+01 -0.192527D+02  0.462799D+01  0.300175D+01  0.612654D+01
      2   0.290675D+01  0.242790D+02 -0.421912D+01 -0.290846D+00 -0.645862D+01
      3   0.223491D+01 -0.502632D+01 -0.408866D+00 -0.271090D+01  0.332077D+00
      4   0.258039D+01 -0.171725D+02  0.395556D+01 -0.213981D+01  0.619302D+01
      5  -0.900815D+00  0.322292D+01 -0.247662D+01 -0.680599D+00 -0.256358D+01
      6   0.705589D+00 -0.354778D+01  0.501867D+01  0.147878D+01  0.415872D+01
               216           217           218           219           220 
      1  -0.471939D+01  0.539793D+01  0.537400D+01 -0.600306D+01  0.390771D+01
      2   0.349607D+01 -0.430604D+01 -0.424309D+01  0.189875D+01 -0.209120D+01
      3   0.122332D+01 -0.109189D+01 -0.113091D+01  0.410432D+01 -0.181651D+01
      4  -0.323443D+01  0.226110D+01 -0.289953D+01 -0.964968D+00  0.211355D+01
      5   0.204609D+01 -0.328029D+01  0.359783D+00  0.844759D-01  0.723409D-01
      6  -0.316032D+01 -0.193038D+01  0.992504D+00 -0.221427D+01 -0.762745D+00
               221           222           223           224           225 
      1  -0.691676D+01  0.366498D+01 -0.920386D+01  0.379322D+01 -0.162523D+02
      2   0.506507D+01 -0.284764D+01  0.560383D+01 -0.160514D+01 -0.758402D+01
      3   0.185169D+01 -0.817339D+00  0.360003D+01 -0.218807D+01  0.238363D+02
      4   0.597418D+01 -0.503008D+01 -0.951442D+01 -0.142387D+02  0.120837D+02
      5  -0.530712D+01  0.625505D+01  0.107516D+02  0.138819D+02 -0.466170D+02
      6  -0.389370D+01  0.824082D+01  0.362891D+01  0.118099D+02 -0.225897D+02
               226           227           228           229           230 
      1   0.862354D+02  0.202431D+02  0.540782D+01  0.836712D+01  0.753518D+01
      2  -0.389265D+02 -0.540875D+01 -0.204989D+01 -0.265396D+00 -0.138102D-01
      3  -0.473090D+02 -0.148343D+02 -0.335793D+01 -0.810173D+01 -0.752137D+01
      4   0.423258D+02  0.228135D+02  0.301999D+01  0.149626D+02  0.955791D+01
      5   0.992506D+00  0.633114D+00  0.124145D+02  0.582733D+00  0.188930D+01
      6   0.260432D+01  0.312387D+00  0.431810D+01 -0.243779D+00  0.100342D+01
               231           232           233           234           235 
      1   0.260364D+00  0.134542D+02  0.297200D+01  0.716983D+01 -0.620726D+01
      2   0.995639D+00 -0.632780D+01  0.313734D+00 -0.455988D+01  0.629346D+01
      3  -0.125600D+01 -0.712637D+01 -0.328573D+01 -0.260995D+01 -0.862039D-01
      4   0.236778D+01  0.756683D+01  0.569087D+01  0.589280D+01 -0.106135D+01
      5   0.208261D+01  0.112957D+02  0.447768D+01  0.203406D+01  0.442411D+01
      6   0.200926D+01  0.389384D+01  0.284991D+01  0.638502D+00  0.309102D+01
               236           237           238           239           240 
      1   0.153052D+02  0.767678D+01  0.161331D+02 -0.228215D+02 -0.768179D+01
      2  -0.163993D+02 -0.584932D+01 -0.109074D+02  0.298966D+02  0.905068D+01
      3   0.109410D+01 -0.182746D+01 -0.522564D+01 -0.707515D+01 -0.136889D+01
      4  -0.101873D+02 -0.669231D-01  0.248403D+01  0.222794D+02  0.568061D+01
      5  -0.185171D+01 -0.523666D+01 -0.327122D+01  0.724359D+01  0.903360D+01
      6  -0.347962D+01 -0.469342D+01 -0.189358D+01  0.715009D+01  0.742407D+01
               241           242           243 
      1   0.928628D+01 -0.915276D+01 -0.108373D+02
      2  -0.493761D+01  0.122275D+02  0.706131D+01
      3  -0.434867D+01 -0.307473D+01  0.377596D+01
      4   0.303098D+01  0.117143D+02  0.709149D+01
      5  -0.696881D+00  0.899969D+01  0.427106D+01
      6  -0.171188D+01  0.951750D+01  0.558763D+01
 Leave Link  716 at Thu Aug 12 23:13:23 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.166288D+03 -0.596895D+01  0.752038D+01
      2  -0.596895D+01  0.119786D+03 -0.419939D+01
      3   0.752038D+01 -0.419939D+01  0.103815D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.374453D+01 -0.367105D+01 -0.833839D+01
      2   0.460447D+02 -0.171481D+02 -0.306431D+02
      3  -0.117157D+01  0.209553D+02  0.144175D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.494318D+02 -0.168799D+02  0.417448D+02
      2  -0.115569D+02  0.194056D+02 -0.141542D+02
      3  -0.378749D+02 -0.252568D+01 -0.275905D+02
      4   0.683339D+01 -0.367293D+02 -0.382876D+02
      5   0.329885D+02 -0.385710D+02 -0.782790D+02
      6  -0.156744D+02  0.142757D+01  0.232100D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.135025D+01 -0.290077D+00 -0.468158D+01  0.917571D+00  0.647847D+00
      2  -0.290077D+00  0.699308D+00  0.258475D+01  0.647847D+00 -0.298024D+01
      3  -0.468158D+01  0.258475D+01  0.163228D+01  0.245456D+01  0.333484D+01
                 6             7             8             9            10 
      1   0.245456D+01 -0.580967D+01  0.283012D+01  0.183610D+01 -0.159150D+02
      2   0.333484D+01  0.283012D+01  0.361539D+01 -0.178207D+01  0.242877D+01
      3  -0.708391D+00  0.183610D+01 -0.178207D+01 -0.214133D+01  0.525990D+01
                11            12            13            14            15 
      1   0.242877D+01  0.525990D+01  0.913212D+01 -0.300736D+01 -0.278934D+01
      2  -0.218810D+01 -0.233437D+01 -0.300736D+01  0.396531D+01 -0.366113D+01
      3  -0.233437D+01 -0.112807D+01 -0.278934D+01 -0.366113D+01  0.175856D+01
                16            17            18            19            20 
      1   0.187827D+02 -0.380634D+01 -0.334121D+01  0.333974D+02 -0.433606D+01
      2  -0.380634D+01 -0.298238D+01  0.174617D+01 -0.433606D+01  0.279122D+01
      3  -0.334121D+01  0.174617D+01  0.595473D+00 -0.690454D+00  0.910921D+00
                21            22            23            24            25 
      1  -0.690454D+00 -0.118666D+02  0.370823D+01  0.159565D+01 -0.601325D+01
      2   0.910921D+00  0.370823D+01  0.168576D+01 -0.179383D+01  0.213952D+01
      3   0.213559D+01  0.159565D+01 -0.179383D+01 -0.243164D+01  0.562441D+01
                26            27            28            29            30 
      1   0.213952D+01  0.562441D+01 -0.499327D+02  0.581678D+01 -0.486763D+01
      2  -0.264705D+01 -0.259906D+01  0.581678D+01 -0.222944D+01  0.401455D-02
      3  -0.259906D+01  0.501845D+01 -0.486763D+01  0.401455D-02 -0.226856D+01
                31            32            33            34            35 
      1   0.149435D+02 -0.545716D+01  0.131782D+01 -0.156012D+02  0.208064D+00
      2  -0.545716D+01 -0.130771D+01  0.119920D+01  0.208064D+00  0.130300D+01
      3   0.131782D+01  0.119920D+01  0.118641D+01 -0.695720D+01  0.781844D+00
                36            37            38            39            40 
      1  -0.695720D+01  0.495870D+02 -0.733184D+01  0.775405D+01 -0.107269D+02
      2   0.781844D+00 -0.733184D+01  0.127606D+01 -0.444103D+00  0.426641D+01
      3  -0.533216D+01  0.775405D+01 -0.444103D+00  0.288822D+01 -0.569946D+00
                41            42            43            44            45 
      1   0.426641D+01 -0.569946D+00  0.161388D+02 -0.127533D+01  0.615354D+01
      2   0.189118D+01 -0.202009D+01 -0.127533D+01 -0.215297D+01 -0.966143D+00
      3  -0.202009D+01 -0.145655D+01  0.615354D+01 -0.966143D+00  0.310713D+01
                46            47            48            49            50 
      1  -0.349469D+02  0.696205D+01 -0.811272D+01  0.708959D+01 -0.374629D+01
      2   0.696205D+01 -0.147268D+01  0.227016D+01 -0.374629D+01 -0.219138D+01
      3  -0.811272D+01  0.227016D+01 -0.143404D+01  0.331343D+01  0.281492D+00
                51            52            53            54            55 
      1   0.331343D+01 -0.115794D+02  0.344782D+01 -0.290891D+01  0.292422D+02
      2   0.281492D+00  0.344782D+01  0.701395D+00  0.950772D+00 -0.635194D+01
      3   0.987185D+00 -0.290891D+01  0.950772D+00 -0.123680D+01  0.615894D+01
                56            57            58            59            60 
      1  -0.635194D+01  0.615894D+01 -0.197474D+02  0.679217D+01 -0.434568D+01
      2   0.277981D+01 -0.151422D+01  0.679217D+01 -0.498247D+01  0.210813D+01
      3  -0.151422D+01  0.233039D+01 -0.434568D+01  0.210813D+01 -0.200951D+01
                61            62            63            64            65 
      1   0.132070D+02 -0.228253D+01  0.671228D+01  0.218671D+01 -0.192459D+00
      2  -0.228253D+01  0.105838D+01 -0.272585D+01 -0.192459D+00  0.117880D+01
      3   0.671228D+01 -0.272585D+01  0.462222D+01 -0.448340D+01  0.267194D+01
                66            67            68            69            70 
      1  -0.448340D+01  0.234607D+00  0.229189D+01  0.252942D+01 -0.743525D+01
      2   0.267194D+01  0.229189D+01 -0.119934D+01  0.464594D+01  0.259812D+01
      3   0.778670D+00  0.252942D+01  0.464594D+01 -0.997049D+00  0.274294D+01
                71            72            73            74            75 
      1   0.259812D+01  0.274294D+01  0.593652D+01  0.222292D+01 -0.344913D+01
      2   0.425157D+01 -0.146671D+01  0.222292D+01  0.488840D+00 -0.173233D+01
      3  -0.146671D+01  0.105856D+01 -0.344913D+01 -0.173233D+01 -0.206417D+01
                76            77            78            79            80 
      1   0.320823D+01  0.149660D+00 -0.213665D+01 -0.398009D+01 -0.104335D+01
      2   0.149660D+00 -0.501473D+01  0.323537D+01 -0.104335D+01  0.308854D+01
      3  -0.213665D+01  0.323537D+01  0.891472D+00 -0.214799D+01  0.138618D+01
                81            82            83            84            85 
      1  -0.214799D+01  0.383093D+00  0.148062D+01  0.894814D+00  0.463012D+00
      2   0.138618D+01  0.148062D+01 -0.243498D+01  0.266464D+01 -0.250572D+01
      3  -0.124651D+01  0.894814D+00  0.266464D+01  0.277238D+01  0.232103D+01
                86            87            88            89            90 
      1  -0.250572D+01  0.232103D+01  0.172599D-01  0.369494D+01  0.275693D+01
      2   0.825262D-01  0.156937D+01  0.369494D+01  0.150712D+01 -0.854523D+00
      3   0.156937D+01 -0.748557D+00  0.275693D+01 -0.854523D+00 -0.160718D+01
                91            92            93            94            95 
      1  -0.821144D+01 -0.192018D+01 -0.213652D+01  0.504713D+00  0.381856D+01
      2  -0.192018D+01  0.346577D+01 -0.161366D+00  0.381856D+01  0.100233D+01
      3  -0.213652D+01 -0.161366D+00  0.158089D+01 -0.286203D+00 -0.163805D+01
                96            97            98            99           100 
      1  -0.286203D+00 -0.340121D+01 -0.507477D+00  0.456566D+00 -0.840273D+01
      2  -0.163805D+01 -0.507477D+00 -0.173603D+01 -0.196508D+01 -0.286255D+01
      3  -0.127477D+01  0.456566D+00 -0.196508D+01  0.436450D+01  0.353854D+01
               101           102           103           104           105 
      1  -0.286255D+01  0.353854D+01 -0.150659D+01 -0.186807D+01  0.973010D+00
      2  -0.242070D+01  0.133356D+01 -0.186807D+01 -0.134618D+01  0.723136D+00
      3   0.133356D+01 -0.228397D+01  0.973010D+00  0.723136D+00 -0.799295D+00
               106           107           108           109           110 
      1   0.126277D+01  0.883485D+00 -0.162559D+01  0.150238D+01 -0.397441D+00
      2   0.883485D+00  0.465927D+00 -0.987985D+00 -0.397441D+00  0.968286D+00
      3  -0.162559D+01 -0.987985D+00  0.193468D+01  0.150663D+01 -0.188430D+00
               111           112           113           114           115 
      1   0.150663D+01  0.238832D+00  0.141027D+00  0.151232D+00  0.106348D+01
      2  -0.188430D+00  0.141027D+00 -0.283235D-01  0.513227D+00 -0.363911D-01
      3   0.306715D+01  0.151232D+00  0.513227D+00 -0.251251D+00  0.129789D+01
               116           117           118           119           120 
      1  -0.363911D-01  0.129789D+01 -0.460775D+01  0.958971D+00 -0.174525D+01
      2   0.119800D+01 -0.100383D+01  0.958971D+00 -0.535280D+00  0.206527D+00
      3  -0.100383D+01  0.625501D+01 -0.174525D+01  0.206527D+00 -0.194670D+01
               121           122           123           124           125 
      1   0.488366D+01 -0.939130D+00  0.377199D+00 -0.299289D+01 -0.443037D-01
      2  -0.939130D+00  0.448521D+00 -0.114882D+01 -0.443037D-01 -0.987612D+00
      3   0.377199D+00 -0.114882D+01  0.146515D+01 -0.328515D+01  0.119962D+01
               126           127           128           129           130 
      1  -0.328515D+01  0.236283D+01 -0.188775D+01 -0.462487D+00 -0.144069D+01
      2   0.119962D+01 -0.188775D+01  0.357746D+01 -0.115468D+00  0.178700D+01
      3  -0.883475D+01 -0.462487D+00 -0.115468D+00  0.377994D+00 -0.224818D+00
               131           132           133           134           135 
      1   0.178700D+01 -0.224818D+00  0.303463D+00 -0.527592D+00 -0.480648D-01
      2  -0.553330D+01 -0.269894D+00 -0.527592D+00  0.743039D+00 -0.802089D+00
      3  -0.269894D+00 -0.716834D+00 -0.480648D-01 -0.802089D+00  0.273250D+00
               136           137           138           139           140 
      1  -0.367041D+01 -0.237409D+01 -0.166576D+01 -0.155047D+01 -0.177051D+01
      2  -0.237409D+01 -0.254071D+01 -0.167384D+01 -0.177051D+01 -0.328216D+01
      3  -0.166576D+01 -0.167384D+01 -0.219933D+01 -0.114384D+01 -0.188129D+01
               141           142           143           144           145 
      1  -0.114384D+01 -0.216401D+01 -0.184301D+01 -0.185987D+01  0.500326D+00
      2  -0.188129D+01 -0.184301D+01 -0.267903D+01 -0.203406D+01  0.973380D+00
      3  -0.146495D+01 -0.185987D+01 -0.203406D+01 -0.275489D+01  0.612361D-01
               146           147           148           149           150 
      1   0.973380D+00  0.612361D-01  0.844138D+00  0.262227D+00 -0.296655D+00
      2   0.571349D+00 -0.404718D+00  0.262227D+00  0.774638D+01 -0.157378D+01
      3  -0.404718D+00 -0.402759D-01 -0.296655D+00 -0.157378D+01  0.158804D+01
               151           152           153           154           155 
      1  -0.332570D+00 -0.319065D+00 -0.372782D-01  0.555512D+01 -0.252706D+00
      2  -0.319065D+00 -0.386496D+01  0.161868D+01 -0.252706D+00  0.142731D+01
      3  -0.372782D-01  0.161868D+01 -0.135436D+01  0.191251D+01  0.370522D+00
               156           157           158           159           160 
      1   0.191251D+01 -0.114964D+01  0.726196D+00 -0.186521D+00  0.175943D+01
      2   0.370522D+00  0.726196D+00 -0.129323D+00 -0.136693D+00  0.131798D+00
      3   0.200517D+01 -0.186521D+00 -0.136693D+00 -0.445616D+00  0.141287D+01
               161           162           163           164           165 
      1   0.131798D+00  0.141287D+01 -0.418511D+01  0.188086D+01  0.308986D+01
      2   0.263747D+00  0.461410D+00  0.188086D+01 -0.229262D+01 -0.185283D+01
      3   0.461410D+00  0.232204D+01  0.308986D+01 -0.185283D+01 -0.327304D+01
               166           167           168           169           170 
      1   0.529234D+00 -0.119376D+01 -0.909450D+00  0.279297D+01 -0.158599D+01
      2  -0.119376D+01  0.186134D+01  0.102937D+01 -0.158599D+01  0.172584D+01
      3  -0.909450D+00  0.102937D+01  0.105048D+01 -0.292883D+01  0.241667D+01
               171           172           173           174           175 
      1  -0.292883D+01 -0.738228D+01  0.194511D+01  0.234536D+01  0.190781D+01
      2   0.241667D+01  0.194511D+01 -0.133638D+01 -0.777082D+00 -0.183995D+01
      3   0.492025D+01  0.234536D+01 -0.777082D+00 -0.174183D+01 -0.688786D+00
               176           177           178           179           180 
      1  -0.183995D+01 -0.688786D+00  0.640582D+01 -0.170712D+01 -0.256680D+01
      2   0.126669D+01  0.170135D+00 -0.170712D+01  0.995999D+00  0.908946D+00
      3   0.170135D+00  0.647208D+00 -0.256680D+01  0.908946D+00  0.229878D+01
               181           182           183           184           185 
      1  -0.247727D+01 -0.132295D+01 -0.991476D+00 -0.319694D+01 -0.164884D+01
      2  -0.132295D+01 -0.106242D+01 -0.940549D+00 -0.164884D+01 -0.312854D+01
      3  -0.991476D+00 -0.940549D+00 -0.120918D+01 -0.178029D+01 -0.203787D+01
               186           187           188           189           190 
      1  -0.178029D+01 -0.155912D+01 -0.107279D+01 -0.200677D+01 -0.253267D+00
      2  -0.203787D+01 -0.107279D+01 -0.196261D+01 -0.124765D+01  0.581073D+00
      3  -0.208531D+01 -0.200677D+01 -0.124765D+01 -0.275270D+01 -0.118491D+00
               191           192           193           194           195 
      1   0.581073D+00 -0.118491D+00  0.184926D+01 -0.161259D+01  0.731919D+00
      2   0.345023D+00 -0.420487D+00 -0.161259D+01  0.522872D+01 -0.318118D+01
      3  -0.420487D+00  0.330756D+00  0.731919D+00 -0.318118D+01  0.281247D+01
               196           197           198           199           200 
      1  -0.753706D+00  0.628975D+00 -0.127280D+01 -0.494390D+00  0.130102D+01
      2   0.628975D+00 -0.321215D+01  0.265639D+01  0.130102D+01  0.813963D+00
      3  -0.127280D+01  0.265639D+01 -0.348728D+01 -0.724589D+00 -0.245989D+00
               201           202           203           204           205 
      1  -0.724589D+00  0.156361D+01  0.109558D+01 -0.709839D-01 -0.206513D+01
      2  -0.245989D+00  0.109558D+01  0.528351D+01 -0.184699D+01  0.259012D+00
      3  -0.973180D-01 -0.709839D-01 -0.184699D+01  0.140920D+01  0.777599D+00
               206           207           208           209           210 
      1   0.259012D+00  0.777599D+00  0.613102D+00 -0.968775D+00  0.492511D+00
      2  -0.159196D+01  0.101524D+01 -0.968775D+00 -0.821154D-01 -0.170638D-01
      3   0.101524D+01 -0.650024D+00  0.492511D+00 -0.170638D-01  0.163864D+00
               211           212           213           214           215 
      1  -0.198226D+01 -0.529782D+00 -0.805248D-01  0.925063D+00 -0.177848D+00
      2  -0.529782D+00 -0.608348D+01  0.151551D+01 -0.177848D+00  0.194760D+01
      3  -0.805248D-01  0.151551D+01 -0.121049D+01 -0.265340D+00 -0.989177D+00
               216           217           218           219           220 
      1  -0.265340D+00  0.127179D+01  0.235418D+00 -0.517620D+00  0.976010D+00
      2  -0.989177D+00  0.235418D+00 -0.856913D+00  0.146026D+00  0.335275D-01
      3   0.652526D+00 -0.517620D+00  0.146026D+00 -0.526749D+00  0.304696D-01
               221           222           223           224           225 
      1   0.335275D-01  0.304696D-01 -0.207289D+01 -0.950845D+00  0.826522D+00
      2   0.106785D+01 -0.864775D+00 -0.950845D+00 -0.213439D+01  0.204096D+01
      3  -0.864775D+00  0.100485D+01  0.826522D+00  0.204096D+01 -0.718421D+01
               226           227           228           229           230 
      1   0.100952D+02  0.291975D+01  0.639611D+00  0.136679D+01  0.106925D+01
      2   0.291975D+01  0.188290D+01  0.179221D+00  0.106925D+01  0.809520D+00
      3   0.639611D+00  0.179221D+00  0.121698D+01  0.147832D+00  0.328471D+00
               231           232           233           234           235 
      1   0.147832D+00  0.168233D+01  0.560052D+00  0.110149D+01 -0.804134D+00
      2   0.328471D+00  0.560052D+00  0.688733D+00  0.567556D+00  0.782100D+00
      3   0.261532D+00  0.110149D+01  0.567556D+00  0.136768D+00  0.993152D+00
               236           237           238           239           240 
      1   0.782100D+00  0.993152D+00  0.251478D+01 -0.670428D+00 -0.433890D+00
      2  -0.281376D+01 -0.519450D+00 -0.670428D+00  0.486753D+01  0.140021D+01
      3  -0.519450D+00 -0.106710D+01 -0.433890D+00  0.140021D+01  0.153768D+01
               241           242           243 
      1   0.141939D+01 -0.201909D+00 -0.447347D+00
      2  -0.201909D+00  0.239687D+01  0.167378D+01
      3  -0.447347D+00  0.167378D+01  0.102258D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.104388D+02 -0.510287D+01  0.288151D+00 -0.263589D+01 -0.126458D+02
      2   0.139446D+02 -0.300320D+01  0.520784D+01 -0.551209D+01 -0.515500D+01
      3  -0.602816D+01 -0.307635D+01 -0.551426D+01  0.450084D+01 -0.402902D+01
                 6             7             8             9            10 
      1   0.436058D+01 -0.849767D+00  0.120991D+02  0.289938D+01 -0.103999D+02
      2  -0.186663D+01  0.208002D+00 -0.117359D+01  0.170358D+01 -0.312871D+02
      3   0.103469D+02 -0.493212D+01  0.124559D+02  0.151573D+00  0.431067D+01
                11            12            13            14            15 
      1   0.340952D+01  0.185472D+01  0.302454D+01  0.576487D+01 -0.782763D+01
      2   0.844452D+01  0.592682D+01  0.184070D+02  0.717936D+01 -0.459598D+01
      3  -0.801774D+01 -0.357531D+01  0.753559D+00  0.662598D+01 -0.121984D+02
                16            17            18            19            20 
      1   0.874932D+01  0.256642D-01  0.205648D+00  0.110137D+02 -0.424546D+01
      2   0.156520D+02 -0.445458D+01 -0.428634D+01  0.343878D+02 -0.564394D+01
      3  -0.360958D+01 -0.134032D+02  0.272488D+01 -0.475550D+01 -0.123813D+01
                21            22            23            24            25 
      1  -0.246263D+01 -0.816409D+01 -0.561738D+01  0.422132D+00 -0.994874D+01
      2   0.957231D+00 -0.166094D+02  0.542749D+01  0.405683D+01 -0.188947D+02
      3   0.122542D+01  0.108116D+02 -0.776433D-01 -0.204556D+01 -0.422799D+00
                26            27            28            29            30 
      1   0.754578D+01  0.272612D+01 -0.121267D+02  0.127754D+01  0.463788D+00
      2   0.489012D+01  0.420987D+01 -0.351316D+02  0.270059D+01 -0.821020D+01
      3  -0.264537D+00 -0.235423D+01  0.587953D+01  0.358014D+01  0.286399D+01
                31            32            33            34            35 
      1   0.286068D+01  0.324721D+01 -0.225319D+01  0.255020D+01  0.222116D+01
      2   0.837502D+01 -0.340649D+01  0.184401D+01 -0.445164D+02  0.353864D+01
      3   0.185596D+02 -0.232842D+01  0.165411D+01  0.911546D+01  0.907564D+00
                36            37            38            39            40 
      1  -0.114230D+01  0.100007D+02 -0.125445D+01 -0.150424D+01 -0.837705D+01
      2  -0.121500D+02  0.414946D+02 -0.429591D+01  0.138099D+02 -0.599291D+01
      3   0.122980D+01  0.162683D+01 -0.668277D+01 -0.196878D+01  0.741074D+01
                41            42            43            44            45 
      1   0.555545D+00 -0.225754D+01 -0.317001D+01  0.142780D+01 -0.282346D+00
      2  -0.137696D+01  0.115618D+01  0.150807D+02 -0.171620D+00  0.829153D+01
      3  -0.106406D+02  0.595639D+01 -0.646867D+01  0.426820D+01 -0.130662D+01
                46            47            48            49            50 
      1  -0.848347D+01 -0.155444D+01  0.717655D+01 -0.101258D+01  0.846123D+01
      2  -0.238775D+02  0.465709D+01 -0.175185D+02  0.288408D+01 -0.994208D+00
      3  -0.905015D+01  0.847822D+01  0.253917D+01  0.189367D+02  0.703826D+01
                51            52            53            54            55 
      1   0.308915D+01  0.400476D+01  0.134700D+02 -0.456287D+01  0.439634D+01
      2   0.283865D+01 -0.285100D+02 -0.487060D+00 -0.965962D+01  0.190558D+02
      3   0.154430D+01  0.702511D+00  0.443671D+01 -0.181002D+01  0.413706D+01
                56            57            58            59            60 
      1   0.181700D+01 -0.111153D+01 -0.193915D+01 -0.303391D+01 -0.468415D+01
      2  -0.445366D+01  0.180476D+02 -0.123130D+02  0.668635D+01 -0.113277D+02
      3  -0.163237D+02  0.457551D+00 -0.722355D+01  0.157134D+02 -0.396950D+01
                61            62            63            64            65 
      1   0.203872D+01  0.390916D-01  0.269128D+01  0.359546D+01 -0.342406D+01
      2   0.172295D+02 -0.596359D+01  0.169294D+02  0.163463D+02 -0.981430D+01
      3  -0.562428D+00 -0.783824D+01  0.495474D+01  0.274008D+01  0.267818D+01
                66            67            68            69            70 
      1  -0.364153D+01 -0.499719D+01 -0.359909D+01 -0.423251D+01 -0.608423D+01
      2  -0.593747D+01 -0.899776D+01 -0.162148D+02  0.572758D+01 -0.190622D+02
      3   0.653526D+01  0.131530D+02 -0.304535D+01  0.210938D+02  0.603834D+01
                71            72            73            74            75 
      1   0.491243D+00 -0.509389D+00 -0.221114D+00 -0.324717D+01 -0.763141D+01
      2   0.817287D+01 -0.335181D+01  0.448622D+01 -0.160323D+01  0.131755D+02
      3   0.199534D+02 -0.322838D+01  0.576091D+00 -0.509510D+01 -0.355190D+00
                76            77            78            79            80 
      1   0.444412D+00 -0.303178D+01  0.593354D+01 -0.556560D+01  0.111400D+02
      2   0.280260D+01 -0.745836D+01  0.988828D+00  0.301495D+01 -0.835949D+00
      3   0.545161D+00 -0.127385D+02  0.115723D+02 -0.361029D+00  0.111757D+02
                81            82            83            84            85 
      1   0.183927D+01  0.624036D+00  0.104327D+02  0.789293D+01  0.135757D+02
      2   0.724564D+01 -0.774436D-01 -0.197031D+01 -0.805050D+00 -0.337886D+01
      3   0.835482D+01  0.219851D+01 -0.129664D+02  0.211909D+01 -0.457607D+01
                86            87            88            89            90 
      1   0.485162D+01 -0.749739D+01  0.553690D+01 -0.227101D+01 -0.463119D+01
      2  -0.350293D+01  0.229788D+01 -0.729237D+01  0.297544D+01  0.300047D+01
      3   0.621866D+01 -0.382049D+01  0.335834D+01 -0.743401D+01 -0.993147D+01
                91            92            93            94            95 
      1   0.317790D+01 -0.312041D+01 -0.498246D+01  0.121348D+00  0.304269D+01
      2  -0.100673D+02 -0.952057D+00  0.751555D+01  0.712881D-02 -0.405284D+01
      3  -0.707011D+00 -0.197350D+02 -0.287528D+01 -0.103096D+02  0.163772D+01
                96            97            98            99           100 
      1  -0.125263D+01  0.338501D+01  0.935613D+01 -0.784543D+01  0.121905D+01
      2  -0.279158D+01 -0.302931D+01 -0.768261D+01  0.156307D+02  0.161999D+01
      3   0.605330D+01 -0.157576D+01  0.797611D+01  0.975221D+01  0.409966D+01
               101           102           103           104           105 
      1  -0.268756D+01 -0.222474D+01 -0.444398D+00 -0.771708D+00 -0.186988D+01
      2  -0.544607D+00  0.434659D+01  0.125676D+01  0.138887D-01  0.121291D+01
      3  -0.558288D+01 -0.864099D+00 -0.221815D+00 -0.157841D+01 -0.221260D+00
               106           107           108           109           110 
      1  -0.902387D+00  0.510326D+00  0.148500D+01  0.113103D+01  0.259858D+01
      2  -0.144856D+01  0.116029D+01 -0.364724D+01 -0.669242D+01  0.115202D+01
      3  -0.103643D+01  0.765209D+00 -0.433681D+00 -0.343330D+01  0.137957D+01
               111           112           113           114           115 
      1   0.399334D+01  0.718355D+00  0.130826D+01 -0.913453D+00  0.196302D+01
      2  -0.841002D+01  0.549667D+00 -0.167124D+01  0.800220D-01 -0.850267D+01
      3  -0.273809D+01  0.166564D+01 -0.539949D-01  0.734966D+00 -0.266791D+01
               116           117           118           119           120 
      1   0.266342D+01  0.647854D+01 -0.106593D+01  0.119057D+01 -0.396262D+00
      2   0.202452D+01 -0.156881D+02 -0.440957D+01  0.103247D+01  0.115218D+01
      3   0.170256D+01 -0.450942D+01  0.989291D+00 -0.176866D+01  0.705638D+00
               121           122           123           124           125 
      1   0.256739D+01 -0.706431D+00  0.700059D+00  0.182251D+01  0.490878D+01
      2   0.563632D+01 -0.290648D+00 -0.926196D+00 -0.355771D+01 -0.828294D+00
      3   0.104277D+01  0.445556D-01 -0.101514D+01  0.445816D+00 -0.110970D+01
               126           127           128           129           130 
      1  -0.275616D+01  0.323168D+00 -0.259905D+01  0.227910D+01 -0.130283D+01
      2   0.441932D+01  0.522788D+00  0.866724D-01  0.406684D+00  0.644671D+00
      3   0.130709D+01 -0.124073D+02  0.909587D+01  0.108253D+01  0.112626D+02
               131           132           133           134           135 
      1   0.195661D+01 -0.379699D+01  0.423737D+00 -0.807168D+00  0.138680D+01
      2   0.390316D+00 -0.519354D+00 -0.105292D+01  0.784386D+00 -0.449978D+00
      3  -0.121390D+02  0.502035D-02 -0.158549D+01  0.276057D+01 -0.116905D+01
               136           137           138           139           140 
      1  -0.258020D+01 -0.190406D+01 -0.526467D+01 -0.162776D+01 -0.223678D+01
      2  -0.121112D+01  0.992980D+00  0.335752D+01  0.218322D+00  0.123066D+01
      3   0.495075D+01 -0.103712D+01  0.116187D+01  0.269800D+01 -0.236860D+01
               141           142           143           144           145 
      1  -0.333941D+01 -0.336466D+01 -0.927755D+00 -0.572840D+01  0.909681D+00
      2   0.199180D+01 -0.366500D+00  0.171320D+01  0.286475D+01 -0.883090D+00
      3  -0.125387D+00  0.279948D+01 -0.816596D+00  0.132623D+01  0.372546D+01
               146           147           148           149           150 
      1   0.179651D+01 -0.975378D+00  0.112494D+01  0.118543D+02 -0.807305D+01
      2  -0.413472D+00  0.589320D+00 -0.539273D+00  0.670763D+00 -0.130612D+01
      3   0.193243D+01 -0.858801D+00  0.537226D+01  0.135253D+02 -0.317863D+01
               151           152           153           154           155 
      1  -0.442040D+00 -0.600062D+01  0.601502D+01 -0.441641D+01  0.274288D+01
      2  -0.660208D+00 -0.132328D+01  0.152434D+01 -0.141839D+02  0.421211D+00
      3  -0.312685D+01 -0.776337D+01  0.281295D+01  0.126660D+02 -0.739767D+00
               156           157           158           159           160 
      1  -0.359807D+01  0.162033D+01 -0.802557D+00 -0.327230D+00 -0.302550D+01
      2  -0.377864D+01  0.272085D+01 -0.109047D+01  0.811678D+00 -0.711886D+01
      3   0.441196D+01  0.318307D-01  0.118034D+01 -0.681443D+00  0.420045D+01
               161           162           163           164           165 
      1   0.105632D+01 -0.335564D+01 -0.390477D+01 -0.201092D+00  0.490343D+01
      2  -0.521903D+00 -0.438405D+01 -0.147747D+00  0.190386D+01  0.398932D+01
      3  -0.922276D+00  0.355186D+01 -0.394688D+01 -0.304511D+01  0.166042D+01
               166           167           168           169           170 
      1   0.720156D+00  0.429015D+00 -0.253245D+01  0.386965D+01 -0.602018D+00
      2  -0.677425D+00 -0.463788D+00 -0.637836D+00 -0.191093D+01 -0.218198D+01
      3   0.105430D+01  0.158239D+01 -0.399762D+00  0.434457D+01  0.902461D+00
               171           172           173           174           175 
      1  -0.719857D+01 -0.346140D+01  0.880901D+00  0.271350D+01  0.142201D+01
      2  -0.601969D+01 -0.124904D+02  0.431694D+01  0.108117D+02  0.371104D+01
      3  -0.916137D+00 -0.119274D+00 -0.599543D+01 -0.107759D+01 -0.360019D+01
               176           177           178           179           180 
      1  -0.460731D+00 -0.159417D+01  0.308434D+01  0.238047D+00 -0.279015D+01
      2  -0.152527D+01 -0.362315D+01  0.106800D+02 -0.409823D+01 -0.115337D+02
      3   0.352941D+01 -0.147620D+00 -0.792361D+00  0.333496D+01  0.127322D+01
               181           182           183           184           185 
      1   0.182045D+01  0.191265D+01  0.113309D+01  0.195275D+01  0.544235D+01
      2   0.180888D+01  0.231834D+01  0.483818D+01  0.292421D+01  0.657132D+01
      3  -0.605855D+01 -0.581369D+01 -0.433115D+01 -0.556616D+01 -0.147754D+02
               186           187           188           189           190 
      1   0.147034D+01  0.206046D+01  0.422690D+01  0.206359D+01 -0.308663D+00
      2   0.733524D+01  0.391183D+01  0.396401D+01  0.873930D+01  0.100178D+01
      3  -0.874945D+01 -0.442084D+01 -0.921881D+01 -0.591772D+01  0.262260D+01
               191           192           193           194           195 
      1   0.101867D+00 -0.128541D+00 -0.112755D+00 -0.171911D+01 -0.272196D+01
      2   0.166277D+01 -0.142575D+00 -0.917362D-01  0.105103D+02 -0.100995D+02
      3   0.707426D+00 -0.137978D+01 -0.129335D+01  0.175114D+02 -0.108685D+02
               196           197           198           199           200 
      1   0.862349D+00  0.175217D+01  0.244429D+01  0.771683D-01 -0.136812D+01
      2   0.187876D+01 -0.905167D+01  0.114768D+02 -0.481310D+00  0.137767D+01
      3   0.251933D+00 -0.119069D+02  0.869229D+01  0.236902D+00 -0.252177D+00
               201           202           203           204           205 
      1  -0.406409D+00 -0.259045D+01 -0.589368D+01 -0.146807D+01 -0.525249D+01
      2  -0.428417D+00  0.241977D+01  0.110010D+01  0.602345D+00 -0.306077D+01
      3   0.265123D+00  0.289496D+01 -0.208583D+01 -0.115002D+00 -0.157103D+01
               206           207           208           209           210 
      1   0.255620D+01 -0.114973D+01  0.132119D+01  0.861033D-02 -0.260348D-01
      2   0.411109D-01  0.384919D+00  0.224513D+01 -0.519740D+00  0.479227D+00
      3   0.622582D+00 -0.972993D+00  0.190353D+01  0.626570D+00 -0.383513D+00
               211           212           213           214           215 
      1  -0.741479D+00  0.668379D+00 -0.365350D+01 -0.203041D+01  0.288004D+00
      2  -0.391280D+00  0.359918D+01 -0.243851D+01 -0.373979D+01 -0.229851D+01
      3   0.631908D+01  0.129487D+02 -0.336647D+01 -0.152022D+01 -0.407453D+01
               216           217           218           219           220 
      1   0.609597D+00 -0.157424D+00 -0.191720D+00  0.137593D+01 -0.105333D+01
      2   0.887752D+00 -0.124231D+01  0.695806D+00 -0.182169D+01  0.158226D+01
      3   0.209123D+01 -0.496108D+00  0.254854D+01 -0.168423D+01  0.824284D+00
               221           222           223           224           225 
      1   0.808139D+00 -0.196299D+01 -0.180449D+01 -0.185567D+01  0.123466D+02
      2  -0.281626D+01  0.321101D+01  0.342081D+00  0.689618D+01 -0.244847D+02
      3  -0.406997D+01  0.277988D+01 -0.297244D+00  0.566892D+01 -0.713630D+01
               226           227           228           229           230 
      1  -0.227750D+01 -0.714013D+00 -0.235291D+01 -0.702117D+00 -0.735917D+00
      2   0.607685D+01  0.175674D+01  0.688962D+01  0.137663D+01  0.156869D+01
      3   0.375262D+01 -0.545906D+01  0.549457D+00  0.575472D+00 -0.124523D+01
               231           232           233           234           235 
      1  -0.133382D+01 -0.112260D+01  0.897011D-02 -0.365307D+00 -0.645071D+00
      2   0.138786D+01  0.314086D+01  0.175133D+01  0.110570D+01  0.295253D+01
      3  -0.104245D+01  0.324883D+00 -0.229951D+01 -0.908365D+00 -0.642610D+01
               236           237           238           239           240 
      1   0.344515D+01  0.263231D+01  0.178802D+01 -0.503633D+01 -0.429587D+01
      2  -0.240430D+01 -0.253620D+01 -0.101267D+01  0.507087D+01  0.458975D+01
      3   0.119037D+02  0.412585D+01  0.753239D+01 -0.193643D+02 -0.603301D+01
               241           242           243 
      1   0.224722D+00 -0.366235D+01 -0.297083D+01
      2  -0.156905D+01  0.614489D+01  0.347818D+01
      3   0.336898D+01 -0.987918D+01 -0.762852D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.135736D+02 -0.199908D+01  0.752497D+01 -0.542369D+01  0.311826D+00
      2   0.594804D+01 -0.547716D+01 -0.197403D+01 -0.180235D+01 -0.168500D+02
      3  -0.195216D+02  0.747625D+01 -0.555095D+01  0.722604D+01  0.165382D+02
      4  -0.127783D+01 -0.276831D+01 -0.202224D+02 -0.266312D+01  0.114164D+02
      5   0.144896D+02 -0.117295D+02 -0.164738D+02 -0.102856D+02 -0.818890D+01
      6  -0.141070D+02  0.123003D+02  0.103936D+02  0.719687D+01  0.140055D+02
                 6             7             8             9            10 
      1  -0.172157D+02  0.622268D+01 -0.192890D+02 -0.188409D+01 -0.164720D+02
      2   0.224122D+02 -0.144052D+01  0.282642D+02  0.263414D+01  0.668712D+01
      3  -0.519649D+01 -0.478216D+01 -0.897521D+01 -0.750049D+00  0.978485D+01
      4  -0.327743D+01 -0.230231D+02 -0.625652D+00  0.125566D+02  0.361576D+01
      5   0.771441D+01 -0.183308D+02  0.128711D+02  0.125700D+02 -0.270865D+02
      6   0.139586D+01  0.118978D+02 -0.274788D+01 -0.680572D+01  0.860770D+01
                11            12            13            14            15 
      1   0.406303D+01 -0.192752D+02  0.971136D+01  0.104545D+02  0.144683D+02
      2  -0.120508D+01  0.559145D+01 -0.471792D+01  0.110664D+01 -0.732365D+01
      3  -0.285794D+01  0.136837D+02 -0.499344D+01 -0.115611D+02 -0.714466D+01
      4   0.714832D+01  0.127945D+02  0.824216D+01 -0.224234D+02  0.138210D+02
      5   0.102119D+02  0.331392D+01  0.114153D+02  0.185619D+02 -0.747504D+01
      6  -0.912036D+01 -0.274952D+01  0.687556D+00 -0.528170D-01 -0.757476D+01
                16            17            18            19            20 
      1  -0.214745D+02  0.172056D+02 -0.127871D+01  0.274092D+02  0.377454D+01
      2   0.292551D+01 -0.156753D+02 -0.436545D+01 -0.889552D+01 -0.635352D+01
      3   0.185490D+02 -0.153031D+01  0.564416D+01 -0.185136D+02  0.257898D+01
      4   0.155797D+02  0.984423D+01 -0.719231D+01 -0.283615D+00 -0.443563D+01
      5   0.133981D+02 -0.881065D+01 -0.264749D+00  0.186411D+01 -0.938488D+00
      6  -0.694098D+01 -0.130123D+01  0.167200D+01 -0.348648D+01  0.277154D+01
                21            22            23            24            25 
      1   0.513946D+01  0.413510D+01 -0.338237D+01 -0.737351D+01  0.233662D+02
      2   0.441436D+01 -0.473628D+01 -0.672482D+01 -0.400302D+00  0.585049D+01
      3  -0.955382D+01  0.601180D+00  0.101072D+02  0.777382D+01 -0.292167D+02
      4  -0.262335D+01 -0.774316D+01 -0.357043D+01  0.226751D+01 -0.100750D+02
      5  -0.421464D+01 -0.379300D+01  0.142431D+00  0.581182D+01 -0.137057D+02
      6   0.317885D+01 -0.413190D+00 -0.541569D+01  0.285580D+01  0.386303D+01
                26            27            28            29            30 
      1  -0.107133D+02  0.186443D+02 -0.104473D+03  0.937759D+01 -0.128162D+02
      2   0.612807D+01  0.897065D+01  0.412122D+02 -0.592796D+01  0.472242D+01
      3   0.458524D+01 -0.276150D+02  0.632608D+02 -0.344963D+01  0.809375D+01
      4   0.589012D+01  0.787641D+01  0.167036D+02 -0.117134D+02  0.823267D+00
      5   0.955791D+01 -0.169526D+02 -0.532371D+01 -0.110196D+01 -0.103623D+02
      6   0.404718D+00 -0.393835D+00  0.728708D+01  0.283891D+01  0.228102D+01
                31            32            33            34            35 
      1   0.403962D+02 -0.590211D+01  0.263835D+01 -0.431417D+02 -0.158718D+01
      2  -0.189766D+02  0.378826D+01  0.385177D+00  0.109476D+02  0.351594D+01
      3  -0.214197D+02  0.211386D+01 -0.302353D+01  0.321942D+02 -0.192876D+01
      4  -0.114244D+02 -0.390256D+00  0.134463D+01  0.839155D+01 -0.372279D+01
      5   0.749893D+01  0.289649D+01  0.155974D+01 -0.962850D+01 -0.110001D+01
      6   0.165148D+01  0.902060D+01 -0.125591D+01  0.656246D+00  0.391318D+01
                36            37            38            39            40 
      1  -0.304962D+02  0.151784D+03 -0.234665D+02  0.317514D+02 -0.184453D+02
      2   0.124317D+00 -0.664221D+02  0.104724D+02 -0.115504D+02  0.429172D+01
      3   0.303718D+02 -0.853623D+02  0.129941D+02 -0.202011D+02  0.141536D+02
      4   0.321190D+01 -0.438605D+02  0.139703D+02 -0.593104D+01  0.163470D+02
      5  -0.149235D+02  0.262461D+02 -0.180909D+01  0.209491D+02  0.377397D+01
      6   0.515979D+01 -0.116288D+02 -0.156720D+01 -0.410976D+01 -0.185108D+01
                41            42            43            44            45 
      1   0.110311D+02 -0.950787D+01  0.404523D+02 -0.101116D+02  0.107837D+02
      2  -0.895480D+01  0.347473D+01 -0.182562D+02  0.857108D+01 -0.807493D+01
      3  -0.207627D+01  0.603314D+01 -0.221961D+02  0.154054D+01 -0.270875D+01
      4   0.905303D+01 -0.632911D+01 -0.657916D+01 -0.764953D+01 -0.451761D+01
      5  -0.844201D+01 -0.161945D+01  0.291805D+02 -0.508487D+01  0.801244D+01
      6   0.597126D+01  0.396761D+01 -0.964380D+01  0.537001D+01 -0.171482D+00
                46            47            48            49            50 
      1  -0.132440D+03  0.357048D+02 -0.276267D+02  0.450958D+02 -0.222081D+02
      2   0.611330D+02 -0.171968D+02  0.159148D+02 -0.289420D+02  0.397398D+01
      3   0.713072D+02 -0.185080D+02  0.117120D+02 -0.161538D+02  0.182341D+02
      4   0.615688D+02 -0.312590D+02  0.176425D+02 -0.352833D+02 -0.140230D+02
      5  -0.460372D+02  0.137665D+02 -0.262693D+02  0.260113D+02  0.340401D+00
      6   0.178494D+02 -0.670612D+01  0.257742D+01  0.897466D+00  0.568953D+01
                51            52            53            54            55 
      1   0.157198D+02 -0.546768D+02  0.149300D+02 -0.182726D+02  0.149253D+03
      2  -0.128577D+02  0.270707D+02 -0.348649D+01  0.610871D+01 -0.732285D+02
      3  -0.286207D+01  0.276061D+02 -0.114435D+02  0.121639D+02 -0.760244D+02
      4   0.654187D+00  0.331390D+02 -0.133098D+01  0.801277D+01 -0.620711D+02
      5   0.302009D+01 -0.153595D+02  0.578061D+01 -0.151525D+02  0.407813D+02
      6  -0.602475D+01  0.165716D+01  0.105492D+01  0.610156D+01 -0.927597D+01
                56            57            58            59            60 
      1  -0.374603D+02  0.288271D+02 -0.842174D+02  0.278643D+02 -0.144035D+02
      2   0.139853D+02 -0.179950D+02  0.345740D+02 -0.217964D+01  0.847915D+01
      3   0.234750D+02 -0.108321D+02  0.496434D+02 -0.256847D+02  0.592433D+01
      4   0.388884D+02 -0.137178D+02  0.646047D+02 -0.446082D+02  0.166528D+02
      5  -0.117444D+02  0.310586D+02 -0.259586D+02  0.141061D+02 -0.166587D+02
      6   0.482030D+01 -0.593512D+01  0.104694D+02 -0.737182D+01  0.116855D+02
                61            62            63            64            65 
      1   0.535269D+02 -0.711188D+01  0.262274D+02 -0.905334D+01  0.482170D+00
      2  -0.313789D+02  0.492339D+01 -0.216647D+02  0.301589D+01  0.242351D+01
      3  -0.221480D+02  0.218849D+01 -0.456274D+01  0.603744D+01 -0.290568D+01
      4  -0.221964D+02  0.123125D+02 -0.212722D+02  0.161666D-01 -0.776657D+01
      5   0.514129D+02 -0.198106D+02  0.374114D+02  0.348240D+02 -0.203636D+02
      6  -0.100472D+02  0.111074D+02 -0.100028D+02 -0.107925D+02  0.284356D+01
                66            67            68            69            70 
      1   0.292890D+02 -0.416694D+01 -0.489073D+01 -0.281749D+02  0.408222D+02
      2  -0.117556D+02  0.621109D+01  0.499217D+01  0.189465D+02 -0.162259D+02
      3  -0.175334D+02 -0.204415D+01 -0.101443D+00  0.922845D+01 -0.245963D+02
      4  -0.227050D+02 -0.146461D+02  0.632246D+01 -0.264846D+02 -0.242670D+02
      5  -0.682609D+01 -0.194967D+02 -0.288832D+02  0.414559D+01 -0.187847D+02
      6  -0.345581D+00 -0.132021D+01  0.104200D+02 -0.108541D+02  0.262659D+01
                71            72            73            74            75 
      1  -0.298730D+02 -0.102957D+02 -0.169911D+02 -0.134788D+02  0.207022D+02
      2   0.209688D+02  0.462602D+01  0.102210D+02  0.723340D+01  0.307965D+01
      3   0.890422D+01  0.566968D+01  0.677007D+01  0.624541D+01 -0.237819D+02
      4  -0.242090D+02  0.833266D+01 -0.227177D+02 -0.890358D+01  0.134940D+02
      5   0.726566D+01 -0.524580D+01  0.240866D+02  0.128527D+02 -0.267148D+01
      6  -0.119581D+02  0.277213D+01  0.109723D+02  0.979635D+01  0.282182D+01
                76            77            78            79            80 
      1  -0.129451D+02 -0.921920D+01  0.130831D+02  0.123897D+02  0.775334D+01
      2   0.995153D+01  0.246963D+01 -0.144005D+02  0.417480D+01 -0.717199D+01
      3   0.299355D+01  0.674957D+01  0.131735D+01 -0.165645D+02 -0.581348D+00
      4  -0.664284D+01  0.217995D+02 -0.934763D+01  0.851973D+01 -0.490052D+01
      5   0.158628D+02 -0.160086D+02 -0.614678D+01  0.164578D+01 -0.499906D+01
      6   0.122343D+01 -0.125052D+02  0.291501D+01  0.432905D+01 -0.108271D+01
                81            82            83            84            85 
      1   0.140163D+02  0.425137D+01 -0.116672D+02  0.451748D+01 -0.812442D+01
      2  -0.370700D+01 -0.683872D+01  0.182410D+02 -0.122389D+02  0.111076D+02
      3  -0.103093D+02  0.258735D+01 -0.657385D+01  0.772146D+01 -0.298318D+01
      4  -0.600982D+00 -0.501584D+01 -0.491617D+01 -0.113475D+02  0.205180D+00
      5  -0.898351D+00 -0.584603D+01 -0.121900D+02 -0.111025D+02 -0.123705D+02
      6   0.264576D+01 -0.557251D+01 -0.136710D+02 -0.134020D+02 -0.939841D+01
                86            87            88            89            90 
      1   0.355753D+01 -0.359814D+01  0.102532D+02 -0.441874D+01 -0.128034D+02
      2  -0.729830D+00 -0.105375D+00 -0.181754D+02 -0.272181D+01  0.969672D+01
      3  -0.282770D+01  0.370352D+01  0.792216D+01  0.714055D+01  0.310668D+01
      4   0.661048D+01 -0.102346D+02 -0.115906D+02 -0.158183D+02 -0.802268D+01
      5  -0.484399D+01  0.244077D+01 -0.138059D+02 -0.220078D+01  0.369969D+01
      6  -0.187538D+01 -0.155384D+01 -0.139068D+02 -0.459151D+00  0.181787D+01
                91            92            93            94            95 
      1  -0.564579D+02 -0.284856D+02 -0.137924D+02 -0.118163D+02  0.202306D+02
      2   0.235619D+02  0.235603D+02  0.110064D+02  0.140940D+02 -0.729400D+01
      3   0.328960D+02  0.492533D+01  0.278592D+01 -0.227771D+01 -0.129366D+02
      4  -0.241246D+02  0.159609D+02 -0.555020D+01  0.217673D+02  0.158701D+02
      5  -0.123682D+02 -0.265798D+01  0.121326D+02 -0.367187D+01 -0.114428D+02
      6  -0.580803D+01  0.118757D+01  0.624847D+01 -0.150899D+01 -0.104792D+02
                96            97            98            99           100 
      1   0.307151D+01 -0.224714D+02  0.235116D+00  0.182080D+02  0.473020D+02
      2  -0.780290D+01  0.115325D+02 -0.115172D+02 -0.389896D+01 -0.249229D+02
      3   0.473139D+01  0.109389D+02  0.112821D+02 -0.143091D+02 -0.223791D+02
      4  -0.932852D+01 -0.876922D+01 -0.934859D+01 -0.962499D+01  0.337697D+02
      5  -0.550109D+01  0.456786D+01 -0.113973D+02  0.285113D+02 -0.333747D+02
      6  -0.423422D+00  0.205435D+01 -0.693872D+01  0.134646D+02 -0.131852D+02
               101           102           103           104           105 
      1   0.109931D+02 -0.141722D+02  0.857879D+01  0.542541D+01 -0.245707D+01
      2  -0.234633D+01  0.100210D+02 -0.138434D+01  0.261783D+01  0.170169D+01
      3  -0.864680D+01  0.415121D+01 -0.719445D+01 -0.804324D+01  0.755388D+00
      4   0.219615D+02 -0.140587D+02  0.175198D+02  0.124680D+02 -0.703481D+01
      5  -0.120123D+02  0.210452D+02 -0.883981D+01 -0.679639D+01  0.613540D+01
      6  -0.930302D+01  0.866623D+01 -0.740005D+01 -0.476905D+01  0.574182D+01
               106           107           108           109           110 
      1  -0.933700D+01 -0.218970D+01  0.371902D+01 -0.483158D+01  0.531269D+01
      2   0.675800D+01  0.250383D+01 -0.629440D+01 -0.162829D+01 -0.340383D+01
      3   0.257900D+01 -0.314133D+00  0.257537D+01  0.645988D+01 -0.190885D+01
      4  -0.868332D+01 -0.530749D+01  0.861652D+01 -0.230187D+00 -0.122337D+01
      5   0.160277D+02  0.708933D+01 -0.134340D+02 -0.611922D+00 -0.110955D+01
      6   0.658539D+01  0.509892D+01 -0.725310D+01 -0.430582D+01  0.339200D+01
               111           112           113           114           115 
      1  -0.148890D+02  0.164477D+01 -0.407957D+01  0.260711D+00 -0.102699D+02
      2  -0.268790D+01 -0.142731D+01  0.102346D+01 -0.113266D+01  0.112228D+01
      3   0.175769D+02 -0.217455D+00  0.305610D+01  0.871951D+00  0.914760D+01
      4  -0.268251D+01  0.179474D+01 -0.124443D+01 -0.678794D+00 -0.297761D+01
      5  -0.261785D+01 -0.154495D+01  0.659911D+00  0.502346D+00  0.249156D+01
      6  -0.768781D+01  0.164458D+01 -0.165752D+01  0.677677D+01 -0.193244D+01
               116           117           118           119           120 
      1   0.453036D+01 -0.250549D+02 -0.157099D+01  0.389006D+00 -0.163994D+01
      2  -0.109722D+01 -0.900091D+01 -0.626759D+01  0.419473D+00 -0.498400D+01
      3  -0.343314D+01  0.340558D+02  0.783858D+01 -0.808479D+00  0.662394D+01
      4  -0.370907D+01  0.150690D+01 -0.444119D+00  0.392408D+01 -0.781139D+00
      5   0.331881D+01 -0.139461D+02  0.792301D+01 -0.203938D+01  0.130781D+02
      6   0.754171D+01 -0.155646D+02 -0.640531D+00  0.897608D+00  0.515129D-01
               121           122           123           124           125 
      1   0.530389D+01 -0.511926D+01  0.379855D+01 -0.694534D+01  0.167581D+01
      2  -0.195061D+01  0.330152D+00  0.308681D+01 -0.677963D+01  0.352969D+01
      3  -0.335328D+01  0.478911D+01 -0.688536D+01  0.137250D+02 -0.520551D+01
      4   0.256613D+01 -0.103884D+01  0.318450D+01  0.721756D+00  0.292256D+01
      5  -0.252194D+01  0.383367D+01 -0.314494D+01  0.171164D+02 -0.348758D+01
      6   0.153356D+01 -0.135846D+01  0.719985D+01  0.597264D+00  0.570747D+01
               126           127           128           129           130 
      1  -0.268412D+02 -0.838828D+01  0.168629D+02  0.276649D+00  0.883312D+01
      2  -0.206719D+02  0.115787D+02 -0.240182D+02  0.845563D+00 -0.126709D+02
      3   0.475132D+02 -0.319041D+01  0.715532D+01 -0.112221D+01  0.383778D+01
      4  -0.210335D+01 -0.554830D+01  0.383375D+01  0.185576D+01  0.677599D+01
      5   0.245059D+02 -0.316275D+00  0.144766D+01  0.135620D+01  0.192754D+01
      6  -0.711255D+00  0.913060D+00  0.557899D+00 -0.244193D+01  0.902601D+00
               131           132           133           134           135 
      1  -0.245661D+02 -0.485215D+00 -0.248541D+01  0.390911D+01 -0.329302D+01
      2   0.369673D+02  0.607774D+00  0.331988D+01 -0.498371D+01  0.302234D+01
      3  -0.124012D+02 -0.122559D+00 -0.834466D+00  0.107460D+01  0.270678D+00
      4  -0.225999D+00  0.121326D+01  0.528008D+00  0.673805D+00  0.737056D+00
      5   0.318338D+00  0.589692D+00  0.284727D+01  0.114637D+01 -0.711388D+00
      6   0.874791D+00  0.614886D+01 -0.348417D+00  0.638063D+01 -0.173692D+01
               136           137           138           139           140 
      1   0.861724D+01  0.137259D+00  0.132168D+01  0.152027D+01 -0.616287D+01
      2   0.182579D+01  0.736039D+01  0.247737D+01  0.431108D+01  0.151190D+02
      3  -0.104430D+02 -0.749765D+01 -0.379906D+01 -0.583135D+01 -0.895617D+01
      4   0.209801D+02  0.201932D+02  0.117470D+02  0.152092D+02  0.181956D+02
      5   0.126783D+02  0.973144D+01  0.127921D+02  0.677985D+01  0.940802D+01
      6   0.997435D+01  0.107993D+02  0.114940D+02  0.767365D+01  0.130142D+02
               141           142           143           144           145 
      1  -0.333158D+01  0.507531D+00 -0.545551D+01 -0.342775D+01 -0.296472D+01
      2   0.670008D+01  0.269682D+01  0.896971D+01  0.151745D+01  0.395065D+01
      3  -0.336850D+01 -0.320435D+01 -0.351420D+01  0.191029D+01 -0.985933D+00
      4   0.104586D+02  0.128593D+02  0.144536D+02  0.131322D+02 -0.117574D+01
      5   0.728983D+01  0.118916D+02  0.103364D+02  0.139135D+02  0.912692D-01
      6   0.104380D+02  0.108674D+02  0.142728D+02  0.158485D+02 -0.496408D-01
               146           147           148           149           150 
      1  -0.516820D+01  0.760643D+00 -0.359467D+01 -0.239068D+02  0.382401D+01
      2   0.640711D+01 -0.146219D+01  0.325293D+01  0.464213D+02 -0.113501D+02
      3  -0.123892D+01  0.701547D+00  0.341735D+00 -0.225146D+02  0.752613D+01
      4   0.533302D+01  0.415347D+00  0.672691D+01 -0.189307D+02  0.311722D+01
      5   0.166599D+01  0.233201D+01  0.160722D+01  0.520976D+01 -0.482377D+01
      6  -0.985060D+00  0.956893D-01 -0.110507D+01 -0.135769D+01  0.814227D+01
               151           152           153           154           155 
      1   0.249232D+01  0.114907D+02 -0.418465D+01 -0.944373D+01 -0.516259D+01
      2  -0.158958D+01 -0.217129D+02  0.731903D+01 -0.234478D+01  0.603064D+01
      3  -0.902738D+00  0.102222D+02 -0.313438D+01  0.117885D+02 -0.868048D+00
      4  -0.211397D+01  0.968658D+01 -0.479926D+01  0.132558D+02 -0.519213D+00
      5   0.205509D+01 -0.537860D+01  0.346184D+01  0.602404D+01  0.501892D+00
      6  -0.571380D+00  0.708952D+01 -0.684781D+01  0.493612D+01  0.391835D+01
               156           157           158           159           160 
      1  -0.110447D+02  0.640267D+00 -0.190394D+01  0.338229D+01 -0.843893D+01
      2  -0.813417D+00  0.191693D+01  0.226216D+01 -0.647185D+00 -0.775536D+00
      3   0.118581D+02 -0.255719D+01 -0.358216D+00 -0.273510D+01  0.921447D+01
      4   0.619278D+01 -0.633913D-01  0.131617D+01  0.405043D+00  0.802317D+01
      5   0.349098D+01  0.499962D+00  0.174730D+01  0.582904D+00  0.579165D+01
      6   0.602056D+01  0.191862D+01 -0.152765D+01  0.132758D+01  0.296659D+01
               161           162           163           164           165 
      1   0.172123D+00 -0.963166D+01  0.107795D+02  0.626644D+00 -0.181816D+01
      2  -0.646186D+00 -0.261806D+01 -0.104275D+02 -0.185431D+01  0.760177D+01
      3   0.474063D+00  0.122497D+02 -0.351969D+00  0.122766D+01 -0.578361D+01
      4   0.152288D+00  0.242886D+01 -0.177622D+02  0.152135D+02  0.146930D+02
      5  -0.171198D+01 -0.101596D-01 -0.228628D+02  0.117093D+02  0.224099D+02
      6   0.405022D+01  0.633945D+01  0.122268D+02 -0.113820D+02 -0.137037D+02
               166           167           168           169           170 
      1   0.695120D+00 -0.310282D+01 -0.194109D+01 -0.387886D+01 -0.343511D+01
      2  -0.169292D+01  0.576032D+01  0.689428D+00  0.806876D+01 -0.288927D+00
      3   0.997797D+00 -0.265750D+01  0.125166D+01 -0.418990D+01  0.372403D+01
      4   0.923834D+01 -0.101176D+02 -0.736619D+01  0.150077D+02 -0.114626D+02
      5   0.520073D+01 -0.685255D+01 -0.589238D+01  0.214591D+02 -0.127200D+02
      6  -0.706192D+01  0.746626D+01  0.946930D+01 -0.124439D+02  0.141883D+02
               171           172           173           174           175 
      1  -0.622235D+01  0.659564D+02 -0.132076D+02 -0.193482D+02 -0.128805D+02
      2  -0.950300D+01 -0.311611D+02  0.354062D+01  0.827704D+01  0.291338D+01
      3   0.157254D+02 -0.347953D+02  0.966699D+01  0.110712D+02  0.996710D+01
      4  -0.151858D+02 -0.224453D+02  0.148658D+02  0.820652D+01  0.178112D+02
      5  -0.269599D+02 -0.197650D+02  0.627946D+01  0.165907D+02  0.548224D+01
      6   0.205800D+02  0.454479D+01 -0.136117D+01 -0.330146D+01 -0.163480D+01
               176           177           178           179           180 
      1   0.884672D+01  0.561585D+01 -0.430226D+02  0.105040D+02  0.154326D+02
      2  -0.195917D+01 -0.176358D+01  0.205121D+02 -0.364168D+01 -0.909253D+01
      3  -0.688755D+01 -0.385227D+01  0.225105D+02 -0.686229D+01 -0.634003D+01
      4  -0.113222D+02 -0.307845D+01  0.169406D+02 -0.100998D+02 -0.806683D+01
      5  -0.216099D+01 -0.490516D+01  0.234020D+02 -0.725619D+01 -0.200981D+02
      6   0.714878D+00  0.422102D+01 -0.481048D+01  0.437984D+01  0.471926D+01
               181           182           183           184           185 
      1   0.206016D+02  0.983604D+01  0.725778D+01  0.232239D+02  0.834005D+01
      2  -0.127053D+02 -0.690436D+01 -0.669951D+01 -0.148203D+02 -0.567748D+01
      3  -0.789635D+01 -0.293168D+01 -0.558275D+00 -0.840352D+01 -0.266257D+01
      4   0.940896D+01  0.100668D+02  0.765001D+01  0.138869D+02  0.227144D+02
      5   0.103960D+02  0.896214D+01  0.122973D+02  0.157724D+02  0.145853D+02
      6   0.294323D+01  0.145751D+01  0.110013D+01  0.227624D+01  0.485101D+01
               186           187           188           189           190 
      1   0.104684D+02  0.112690D+02  0.734769D+01  0.894538D+01  0.152313D+01
      2  -0.105559D+02 -0.100942D+02 -0.804310D+01 -0.118668D+02 -0.115089D+00
      3   0.874263D-01 -0.117485D+01  0.695407D+00  0.292144D+01 -0.140804D+01
      4   0.140185D+02  0.841992D+01  0.137433D+02  0.852483D+01 -0.331156D+01
      5   0.164143D+02  0.181418D+02  0.997571D+01  0.210747D+02 -0.189428D-01
      6   0.472724D+01  0.110846D+01  0.572750D+01  0.237776D+01 -0.176492D+01
               191           192           193           194           195 
      1  -0.652759D+01  0.273370D+01 -0.990072D+01 -0.833065D+01  0.771558D+01
      2   0.406665D+01 -0.105682D+01  0.307297D+01  0.136694D+02 -0.480302D+01
      3   0.246094D+01 -0.167688D+01  0.682775D+01 -0.533880D+01 -0.291256D+01
      4   0.238612D+01  0.484152D+00  0.150460D+02 -0.327883D+02  0.199712D+02
      5   0.107024D+00  0.183226D+01 -0.711037D+01  0.196861D+02 -0.181902D+02
      6  -0.144261D+01  0.102578D+01  0.451671D+01 -0.174110D+02  0.148926D+02
               196           197           198           199           200 
      1   0.444198D+01  0.828281D+01 -0.477670D+01 -0.961965D+00  0.165778D+01
      2  -0.290934D+01 -0.560008D+01 -0.159546D+01 -0.447340D+00  0.471024D-01
      3  -0.153264D+01 -0.268273D+01  0.637216D+01  0.140931D+01 -0.170488D+01
      4  -0.609072D+01  0.207475D+02 -0.162811D+02  0.310087D+01  0.496150D+01
      5   0.117912D+02 -0.163883D+02  0.220435D+02 -0.133520D+01 -0.212084D+01
      6  -0.385034D+01  0.145539D+02 -0.144139D+02 -0.223337D+01 -0.889353D+00
               201           202           203           204           205 
      1  -0.135704D+01  0.244959D+01 -0.116891D+02  0.637007D+01 -0.115355D+01
      2   0.553730D+00 -0.177010D+00  0.103559D+02 -0.191931D+01  0.358464D+01
      3   0.803314D+00 -0.227258D+01  0.133326D+01 -0.445076D+01 -0.243109D+01
      4  -0.118198D+01  0.487246D+01  0.830917D+01 -0.340177D+01 -0.707969D+00
      5   0.172098D+01 -0.272189D+01 -0.492494D+01  0.325600D+01  0.201290D+01
      6   0.520442D+00 -0.118353D+01 -0.111579D+02  0.690350D+01  0.202776D+01
               206           207           208           209           210 
      1   0.520911D+01 -0.208441D+01 -0.710912D+00 -0.147499D+01  0.623181D+00
      2  -0.246597D+01  0.711571D+00  0.235051D+01  0.930127D+00 -0.300914D+00
      3  -0.274315D+01  0.137284D+01 -0.163960D+01  0.544866D+00 -0.322267D+00
      4  -0.160179D+01  0.896939D+00 -0.164565D+01  0.485753D+01 -0.138480D+01
      5   0.223933D+01 -0.820975D+00  0.926417D+00 -0.759366D+00  0.690356D+00
      6   0.509670D+01 -0.427266D+01 -0.116906D+01  0.102140D+01 -0.209130D+00
               211           212           213           214           215 
      1  -0.514166D+01 -0.192527D+02  0.462799D+01  0.300175D+01  0.612654D+01
      2   0.290675D+01  0.242790D+02 -0.421912D+01 -0.290846D+00 -0.645862D+01
      3   0.223491D+01 -0.502632D+01 -0.408866D+00 -0.271090D+01  0.332077D+00
      4   0.258039D+01 -0.171725D+02  0.395556D+01 -0.213981D+01  0.619302D+01
      5  -0.900815D+00  0.322292D+01 -0.247662D+01 -0.680599D+00 -0.256358D+01
      6   0.705589D+00 -0.354778D+01  0.501867D+01  0.147878D+01  0.415872D+01
               216           217           218           219           220 
      1  -0.471939D+01  0.539793D+01  0.537400D+01 -0.600306D+01  0.390771D+01
      2   0.349607D+01 -0.430604D+01 -0.424309D+01  0.189875D+01 -0.209120D+01
      3   0.122332D+01 -0.109189D+01 -0.113091D+01  0.410432D+01 -0.181651D+01
      4  -0.323443D+01  0.226110D+01 -0.289953D+01 -0.964968D+00  0.211355D+01
      5   0.204609D+01 -0.328029D+01  0.359783D+00  0.844759D-01  0.723409D-01
      6  -0.316032D+01 -0.193038D+01  0.992504D+00 -0.221427D+01 -0.762745D+00
               221           222           223           224           225 
      1  -0.691676D+01  0.366498D+01 -0.920386D+01  0.379322D+01 -0.162523D+02
      2   0.506507D+01 -0.284764D+01  0.560383D+01 -0.160514D+01 -0.758402D+01
      3   0.185169D+01 -0.817339D+00  0.360003D+01 -0.218807D+01  0.238363D+02
      4   0.597418D+01 -0.503008D+01 -0.951442D+01 -0.142387D+02  0.120837D+02
      5  -0.530712D+01  0.625505D+01  0.107516D+02  0.138819D+02 -0.466170D+02
      6  -0.389370D+01  0.824082D+01  0.362891D+01  0.118099D+02 -0.225897D+02
               226           227           228           229           230 
      1   0.862354D+02  0.202431D+02  0.540782D+01  0.836712D+01  0.753518D+01
      2  -0.389265D+02 -0.540875D+01 -0.204989D+01 -0.265396D+00 -0.138102D-01
      3  -0.473090D+02 -0.148343D+02 -0.335793D+01 -0.810173D+01 -0.752137D+01
      4   0.423258D+02  0.228135D+02  0.301999D+01  0.149626D+02  0.955791D+01
      5   0.992506D+00  0.633114D+00  0.124145D+02  0.582733D+00  0.188930D+01
      6   0.260432D+01  0.312387D+00  0.431810D+01 -0.243779D+00  0.100342D+01
               231           232           233           234           235 
      1   0.260364D+00  0.134542D+02  0.297200D+01  0.716983D+01 -0.620726D+01
      2   0.995639D+00 -0.632780D+01  0.313734D+00 -0.455988D+01  0.629346D+01
      3  -0.125600D+01 -0.712637D+01 -0.328573D+01 -0.260995D+01 -0.862039D-01
      4   0.236778D+01  0.756683D+01  0.569087D+01  0.589280D+01 -0.106135D+01
      5   0.208261D+01  0.112957D+02  0.447768D+01  0.203406D+01  0.442411D+01
      6   0.200926D+01  0.389384D+01  0.284991D+01  0.638502D+00  0.309102D+01
               236           237           238           239           240 
      1   0.153052D+02  0.767678D+01  0.161331D+02 -0.228215D+02 -0.768179D+01
      2  -0.163993D+02 -0.584932D+01 -0.109074D+02  0.298966D+02  0.905068D+01
      3   0.109410D+01 -0.182746D+01 -0.522564D+01 -0.707515D+01 -0.136889D+01
      4  -0.101873D+02 -0.669231D-01  0.248403D+01  0.222794D+02  0.568061D+01
      5  -0.185171D+01 -0.523666D+01 -0.327122D+01  0.724359D+01  0.903360D+01
      6  -0.347962D+01 -0.469342D+01 -0.189358D+01  0.715009D+01  0.742407D+01
               241           242           243 
      1   0.928628D+01 -0.915276D+01 -0.108373D+02
      2  -0.493761D+01  0.122275D+02  0.706131D+01
      3  -0.434867D+01 -0.307473D+01  0.377596D+01
      4   0.303098D+01  0.117143D+02  0.709149D+01
      5  -0.696881D+00  0.899969D+01  0.427106D+01
      6  -0.171188D+01  0.951750D+01  0.558763D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163722D+01      0.416139D+01      0.138809D+02
   x         -0.135546D+01     -0.344525D+01     -0.114921D+02
   y          0.754877D+00      0.191871D+01      0.640011D+01
   z         -0.522841D+00     -0.132893D+01     -0.443283D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.122679D+03      0.181792D+02      0.202271D+02
   aniso      0.542071D+02      0.803267D+01      0.893755D+01
   xx         0.156097D+03      0.231311D+02      0.257369D+02
   yx        -0.454232D+01     -0.673103D+00     -0.748928D+00
   yy         0.113939D+03      0.168841D+02      0.187861D+02
   zx         0.647779D+01      0.959910D+00      0.106804D+01
   zy        -0.398160D+01     -0.590013D+00     -0.656478D+00
   zz         0.980025D+02      0.145225D+02      0.161584D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.129963D+03      0.192585D+02      0.214280D+02
   aniso      0.590738D+02      0.875383D+01      0.973995D+01
   xx         0.166288D+03      0.246414D+02      0.274172D+02
   yx        -0.596895D+01     -0.884506D+00     -0.984146D+00
   yy         0.119786D+03      0.177505D+02      0.197501D+02
   zx         0.752038D+01      0.111440D+01      0.123994D+01
   zy        -0.419939D+01     -0.622286D+00     -0.692386D+00
   zz         0.103815D+03      0.153837D+02      0.171167D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.06667301         -2.48974307          3.06040627
     6         -1.85502832          0.36453596          3.27954930
     6          0.30716853          1.73647588          1.70476399
     6          1.51936924          0.12999996         -0.25463645
     6          1.19001027          0.24521628         -2.75292087
     6          2.40750353         -1.44849845         -4.60593350
     8          1.96336560         -1.19610768         -6.84837253
     6         -1.76216538          1.17117838          6.04229431
     6         -3.80812930          1.92325358          1.73934810
     6         -1.67651150          3.70313849          0.84555525
     6          4.19227983         -3.49115380         -3.68907696
     1         -5.35530493          2.76204018          2.81087152
     1         -4.59984821          0.82766172          0.18432697
     1          1.79612826          2.48223289          2.92913049
     1         -1.67702146          4.23438129         -1.13979013
     1         -1.56153376          5.42664683          1.96392515
     1         -0.48951784         -3.44176277          3.99555626
     1         -2.11024358         -3.10015099          1.09249783
     1         -3.80812153         -3.13743886          3.96240848
     1         -3.45985660          0.54634865          7.03802592
     1         -1.63823526          3.22196652          6.23118526
     1         -0.12582657          0.34625302          6.99477331
     1          2.77774484         -1.30813145          0.49486665
     1         -0.04473129          1.63721051         -3.60562643
     1          5.77749407         -2.67329479         -2.65183902
     1          4.90098797         -4.52768878         -5.31481325
     1          3.22401474         -4.79384777         -2.41461386

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163722D+01      0.416139D+01      0.138809D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.163722D+01      0.416139D+01      0.138809D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.122679D+03      0.181792D+02      0.202271D+02
   aniso      0.542071D+02      0.803267D+01      0.893755D+01
   xx         0.108239D+03      0.160394D+02      0.178462D+02
   yx        -0.118505D+02     -0.175606D+01     -0.195388D+01
   yy         0.110524D+03      0.163779D+02      0.182229D+02
   zx        -0.155677D+02     -0.230689D+01     -0.256676D+01
   zy         0.805398D+01      0.119348D+01      0.132792D+01
   zz         0.149276D+03      0.221204D+02      0.246122D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.129963D+03      0.192585D+02      0.214280D+02
   aniso      0.590738D+02      0.875383D+01      0.973995D+01
   xx         0.113943D+03      0.168847D+02      0.187867D+02
   yx        -0.118767D+02     -0.175995D+01     -0.195820D+01
   yy         0.116144D+03      0.172108D+02      0.191496D+02
   zx        -0.166216D+02     -0.246307D+01     -0.274054D+01
   zy         0.877147D+01      0.129980D+01      0.144622D+01
   zz         0.159801D+03      0.236801D+02      0.263477D+02

 ----------------------------------------------------------------------
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 EXPERIENCE IS THE FRUIT OF THE TREE OF ERRORS.
 Job cpu time:       0 days  8 hours  7 minutes 27.4 seconds.
 Elapsed time:       0 days  1 hours  1 minutes  5.7 seconds.
 File lengths (MBytes):  RWF=    454 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 23:13:24 2021.
